ChemSpider 2D Image | 2-[(4-Hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phenyl]-5-pyrimidinecarboxamide | C25H36N6O6S

2-[(4-Hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phenyl]-5-pyrimidinecarboxamide

  • Molecular FormulaC25H36N6O6S
  • Average mass548.655 Da
  • Monoisotopic mass548.241699 Da
  • ChemSpider ID129013838

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[(4-Hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phenyl]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-[(4-Hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phenyl]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-[(4-Hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phényl]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-[(4-hydroxybutyl)amino]-4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-morpholinylsulfonyl)phenyl]- [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: 1.650
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 78.58
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 122.23
Polar Surface Area: 174 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 386.6±3.0 cm3

Click to predict properties on the Chemicalize site


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