ChemSpider 2D Image | 4-Amino-3-(4-{[(3-chlorophenyl)carbamoyl]amino}phenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide | C22H18ClN5O2S

4-Amino-3-(4-{[(3-chlorophenyl)carbamoyl]amino}phenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide

  • Molecular FormulaC22H18ClN5O2S
  • Average mass451.929 Da
  • Monoisotopic mass451.086975 Da
  • ChemSpider ID24809081

More details:

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

4-Amino-3-(4-{[(3-chlorophenyl)carbamoyl]amino}phenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide [ACD/IUPAC Name]
4-Amino-3-(4-{[(3-chlorophényl)carbamoyl]amino}phényl)-N-méthylthiéno[3,2-c]pyridine-7-carboxamide [French] [ACD/IUPAC Name]
4-Amino-3-(4-{[(3-chlorphenyl)carbamoyl]amino}phenyl)-N-methylthieno[3,2-c]pyridin-7-carboxamid [German] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-7-carboxamide, 4-amino-3-[4-[[[(3-chlorophenyl)amino]carbonyl]amino]phenyl]-N-methyl- [ACD/Index Name]
Kinome_473

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.765
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 798.10
ACD/KOC (pH 5.5): 3909.11
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 988.70
ACD/KOC (pH 7.4): 4842.69
Polar Surface Area: 137 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

Click to predict properties on the Chemicalize site


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