ChemSpider 2D Image | N-{2-[2-(Hexahydrocyclopenta[c]pyrrol-2(1H)-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]ethyl}-1-butanesulfonamide | C27H36N6O3S

N-{2-[2-(Hexahydrocyclopenta[c]pyrrol-2(1H)-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]ethyl}-1-butanesulfonamide

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID9722966

More details:

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

1-Butanesulfonamide, N-[2-[2-[(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]ethyl]- [ACD/Index Name]
N-{2-[2-(Hexahydrocyclopenta[c]pyrrol-2(1H)-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]ethyl}-1-butanesulfonamide [ACD/IUPAC Name]
N-{2-[2-(Hexahydrocyclopenta[c]pyrrol-2(1H)-ylamino)-6-(2-méthylphényl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]éthyl}-1-butanesulfonamide [French] [ACD/IUPAC Name]
N-{2-[2-(Hexahydrocyclopenta[c]pyrrol-2(1H)-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl]ethyl}-1-butansulfonamid [German] [ACD/IUPAC 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: 711.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.3±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 119.67
ACD/KOC (pH 5.5): 819.61
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.88
ACD/KOC (pH 7.4): 2046.99
Polar Surface Area: 116 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 405.0±3.0 cm3

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