ChemSpider 2D Image | Isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C25H32N6O4S2

Isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC25H32N6O4S2
  • Average mass544.689 Da
  • Monoisotopic mass544.192627 Da
  • ChemSpider ID3953705

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(2-{[5-(1-Méthyl-1H-pyrazol-3-yl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[5-(1-methyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Isopropyl-2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{2-[5-(1-Methyl-1H-pyrazol-3-yl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester
isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methylethyl 2-{2-[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
propan-2-yl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1643.55
ACD/KOC (pH 5.5): 6973.55
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1643.52
ACD/KOC (pH 7.4): 6973.42
Polar Surface Area: 167 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 366.3±7.0 cm3

Click to predict properties on the Chemicalize site


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