Found 26 results

Search term: MF = 'C_{29}H_{34}N_{6}O_{4}S_{2}'
ChemSpider 2D Image | Isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C29H34N6O4S2

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

  • Molecular FormulaC29H34N6O4S2
  • Average mass594.748 Da
  • Monoisotopic mass594.208313 Da
  • ChemSpider ID3953199

More details:

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

2-[(2-{[5-(1,3-Diméthyl-1H-pyrazol-5-yl)-4-(4-éthoxyphényl)-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, 2-[[2-[[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-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-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-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-(2,5-Dimethyl-2H-pyrazol-3-yl)-4-(4-ethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester
isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methylethyl 2-{2-[5-(1,3-dimethylpyrazol-5-yl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
propan-2-yl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35649.81
ACD/KOC (pH 5.5): 63087.52
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35649.73
ACD/KOC (pH 7.4): 63087.38
Polar Surface Area: 167 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 428.6±7.0 cm3

Click to predict properties on the Chemicalize site


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