ChemSpider 2D Image | Methyl 2-({3-[(4-amino-5-hydrazino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C15H21N7O3S2

Methyl 2-({3-[(4-amino-5-hydrazino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC15H21N7O3S2
  • Average mass411.502 Da
  • Monoisotopic mass411.114716 Da
  • ChemSpider ID62655789

More details:

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

2-({3-[(4-Amino-5-hydrazino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[3-[(4-amino-5-hydrazinyl-4H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-({3-[(4-amino-5-hydrazino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-({3-[(4-amino-5-hydrazino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.796
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.20
ACD/KOC (pH 5.5): 230.45
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.63
ACD/KOC (pH 7.4): 237.53
Polar Surface Area: 204 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 79.2±7.0 dyne/cm
Molar Volume: 240.9±7.0 cm3

Click to predict properties on the Chemicalize site


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