ChemSpider 2D Image | 4-{[(7R)-7-Ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-[4-(4-morpholinyl)cyclohexyl]benzamide | C30H43N7O4

4-{[(7R)-7-Ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-[4-(4-morpholinyl)cyclohexyl]benzamide

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID9759709

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

4-{[(7R)-7-Ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-[4-(4-morpholinyl)cyclohexyl]benzamid [German] [ACD/IUPAC Name]
4-{[(7R)-7-Ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-[4-(4-morpholinyl)cyclohexyl]benzamide [ACD/IUPAC Name]
4-{[(7R)-7-Éthyl-8-isopropyl-5-méthyl-6-oxo-5,6,7,8-tétrahydro-2-ptéridinyl]amino}-3-méthoxy-N-[4-(4-morpholinyl)cyclohexyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-N-[4-(4-morpholinyl)cyclohexyl]- [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: 1.620
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 21.86
ACD/KOC (pH 7.4): 228.43
Polar Surface Area: 112 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 444.4±5.0 cm3

Click to predict properties on the Chemicalize site


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