ChemSpider 2D Image | N-(3-{5-[2-({5-[(Dimethylamino)methyl]-2-methoxyphenyl}amino)-4-pyrimidinyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-phenylacetamide | C33H31N7O2S

N-(3-{5-[2-({5-[(Dimethylamino)methyl]-2-methoxyphenyl}amino)-4-pyrimidinyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-phenylacetamide

  • Molecular FormulaC33H31N7O2S
  • Average mass589.710 Da
  • Monoisotopic mass589.226013 Da
  • ChemSpider ID24809034

More details:

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

Benzeneacetamide, N-[3-[5-[2-[[5-[(dimethylamino)methyl]-2-methoxyphenyl]amino]-4-pyrimidinyl]imidazo[2,1-b]thiazol-6-yl]phenyl]- [ACD/Index Name]
N-(3-{5-[2-({5-[(Dimethylamino)methyl]-2-methoxyphenyl}amino)-4-pyrimidinyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-phenylacetamid [German] [ACD/IUPAC Name]
N-(3-{5-[2-({5-[(Dimethylamino)methyl]-2-methoxyphenyl}amino)-4-pyrimidinyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-phenylacetamide [ACD/IUPAC Name]
N-(3-{5-[2-({5-[(Diméthylamino)méthyl]-2-méthoxyphényl}amino)-4-pyrimidinyl]imidazo[2,1-b][1,3]thiazol-6-yl}phényl)-2-phénylacétamide [French] [ACD/IUPAC Name]
Kinome_664

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 172.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 18.67
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 173.02
ACD/KOC (pH 7.4): 545.08
Polar Surface Area: 125 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 452.5±7.0 cm3

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