ChemSpider 2D Image | Ethyl 6-methyl-2-({[4-oxo-2-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C29H36N4O4S2

Ethyl 6-methyl-2-({[4-oxo-2-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC29H36N4O4S2
  • Average mass568.750 Da
  • Monoisotopic mass568.217773 Da
  • ChemSpider ID20554401

More details:

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

6-Méthyl-2-({2-[4-oxo-2-(1-pyrrolidinylméthyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[2-[5,6,7,8-tetrahydro-4-oxo-2-(1-pyrrolidinylmethyl)[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 6-methyl-2-({[4-oxo-2-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-methyl-2-({[4-oxo-2-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 71.32
ACD/KOC (pH 5.5): 156.06
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 3637.68
ACD/KOC (pH 7.4): 7959.43
Polar Surface Area: 148 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 384.2±7.0 cm3

Click to predict properties on the Chemicalize site


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