ChemSpider 2D Image | 3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-1,3-thiazol-2-yl)methyl]urea | C27H29ClN6O3S

3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-1,3-thiazol-2-yl)methyl]urea

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID1012514

More details:

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

3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-1,3-thiazol-2-yl)methyl]urea [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-isopropyl-1-[(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-pipéridinyl]carbonyl}-1,3-thiazol-2-yl)méthyl]urée [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-1-isopropyl-1-[(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-1,3-thiazol-2-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N'-(3-chlorophenyl)-N-[[4-[[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl]-2-thiazolyl]methyl]-N-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 362.19
ACD/KOC (pH 5.5): 2362.04
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 362.19
ACD/KOC (pH 7.4): 2362.01
Polar Surface Area: 126 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site


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