ChemSpider 2D Image | 1-[2-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxy-5-methylphenyl)urea | C27H27N7O2S

1-[2-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxy-5-methylphenyl)urea

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID9458678

More details:

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

1-[2-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxy-5-methylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-[2-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxy-5-methylphenyl)urea [ACD/IUPAC Name]
1-[2-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-yl]-3-(2-méthoxy-5-méthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-6-benzothiazolyl]-N'-(2-methoxy-5-methylphenyl)- [ACD/Index 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: 1.769
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1763.94
ACD/KOC (pH 5.5): 6838.23
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2250.01
ACD/KOC (pH 7.4): 8722.58
Polar Surface Area: 148 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 343.2±7.0 cm3

Click to predict properties on the Chemicalize site


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