ChemSpider 2D Image | 4-{[(7S)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide | C28H39N7O3

4-{[(7S)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide

  • Molecular FormulaC28H39N7O3
  • Average mass521.654 Da
  • Monoisotopic mass521.311462 Da
  • ChemSpider ID32779618

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(7S)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-(1-methyl-4-piperidinyl)benzamid [German] [ACD/IUPAC Name]
4-{[(7S)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide [ACD/IUPAC Name]
4-{[(7S)-8-Cyclopentyl-7-éthyl-5-méthyl-6-oxo-5,6,7,8-tétrahydro-2-ptéridinyl]amino}-3-méthoxy-N-(1-méthyl-4-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(7S)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
4-{[(7S)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-7H-PTERIDIN-2-YL]AMINO}-3-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE
755038-02-9 [RN]
BI2536

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: 1.634
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 53.76
Polar Surface Area: 103 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 405.7±5.0 cm3

Click to predict properties on the Chemicalize site


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