ChemSpider 2D Image | 7-Cyclopentyl-2-({2-hydroxy-4-[(6-isothiocyanatohexyl)carbamoyl]phenyl}amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C28H35N7O3S

7-Cyclopentyl-2-({2-hydroxy-4-[(6-isothiocyanatohexyl)carbamoyl]phenyl}amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID127433550

More details:

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

7-Cyclopentyl-2-({2-hydroxy-4-[(6-isothiocyanatohexyl)carbamoyl]phenyl}amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-Cyclopentyl-2-({2-hydroxy-4-[(6-isothiocyanatohexyl)carbamoyl]phenyl}amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-Cyclopentyl-2-({2-hydroxy-4-[(6-isothiocyanatohexyl)carbamoyl]phényl}amino)-N,N-diméthyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-2-[[2-hydroxy-4-[[(6-isothiocyanatohexyl)amino]carbonyl]phenyl]amino]-N,N-dimethyl- [ACD/Index Name]

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: 1.670
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 195.73
ACD/KOC (pH 5.5): 1154.24
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 472.99
ACD/KOC (pH 7.4): 2789.29
Polar Surface Area: 157 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 412.5±7.0 cm3

Click to predict properties on the Chemicalize site


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