ChemSpider 2D Image | Allyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate | C19H18N6O5S2

Allyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC19H18N6O5S2
  • Average mass474.513 Da
  • Monoisotopic mass474.078003 Da
  • ChemSpider ID120087253

More details:

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

2-{[2-({1-[4-(Méthoxycarbonyl)phényl]-1H-tétrazol-5-yl}sulfanyl)acétyl]amino}-4-méthyl-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[2-[[1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl]thio]acetyl]amino]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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: 1.693
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.05
ACD/KOC (pH 5.5): 626.82
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 122.07
Polar Surface Area: 192 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

Click to predict properties on the Chemicalize site


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