ChemSpider 2D Image | 2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)-5-pyrimidinecarboxamide | C22H32N6O4S

2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)-5-pyrimidinecarboxamide

  • Molecular FormulaC22H32N6O4S
  • Average mass476.592 Da
  • Monoisotopic mass476.220581 Da
  • ChemSpider ID31129512

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
2-(Butylamino)-4-[(Trans-4-Hydroxycyclohexyl)amino]-N-(4-Sulfamoylbenzyl)pyrimidine-5-Carboxamide
5-Pyrimidinecarboxamide, N-[[4-(aminosulfonyl)phenyl]methyl]-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]- [ACD/Index Name]
4MH

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: 1.628
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 128.48
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.23
ACD/KOC (pH 7.4): 254.55
Polar Surface Area: 168 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site


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