ChemSpider 2D Image | N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(2-methylbenzyl)sulfonyl]-4-pyrimidinecarboxamide | C22H21ClN4O4S2

N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(2-methylbenzyl)sulfonyl]-4-pyrimidinecarboxamide

  • Molecular FormulaC22H21ClN4O4S2
  • Average mass505.009 Da
  • Monoisotopic mass504.069275 Da
  • ChemSpider ID12008268

More details:

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

4-Pyrimidinecarboxamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-5-chloro-2-[[(2-methylphenyl)methyl]sulfonyl]- [ACD/Index Name]
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chlor-2-[(2-methylbenzyl)sulfonyl]-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(2-methylbenzyl)sulfonyl]-4-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(3-Carbamoyl-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-5-chloro-2-[(2-méthylbenzyl)sulfonyl]-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(2-methylbenzyl)sulfonyl]pyrimidine-4-carboxamide

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: 1.662
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 440.52
ACD/KOC (pH 5.5): 2717.24
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 434.39
ACD/KOC (pH 7.4): 2679.47
Polar Surface Area: 169 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

Click to predict properties on the Chemicalize site


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