ChemSpider 2D Image | 4-{[(7R)-9-Cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methyl-1-piperazinyl)benzamide | C28H37FN8O3

4-{[(7R)-9-Cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methyl-1-piperazinyl)benzamide

  • Molecular FormulaC28H37FN8O3
  • Average mass552.644 Da
  • Monoisotopic mass552.297241 Da
  • ChemSpider ID30826057

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(7r)-9-Cyclopentyl-7-Ethenyl-7-Fluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5h-Pyrimido[4,5-B][1,4]diazepin-2-Yl]amino}-3-Methoxy-N-(4-Methylpiperazin-1-Yl)benzamide
4-{[(7R)-9-Cyclopentyl-7-fluor-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methyl-1-piperazinyl)benzamid [German] [ACD/IUPAC Name]
4-{[(7R)-9-Cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methyl-1-piperazinyl)benzamide [ACD/IUPAC Name]
4-{[(7R)-9-Cyclopentyl-7-fluoro-5-méthyl-6-oxo-7-vinyl-6,7,8,9-tétrahydro-5H-pyrimido[4,5-b][1,4]diazépin-2-yl]amino}-3-méthoxy-N-(4-méthyl-1-pipérazinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(4-methyl-1-piperazinyl)- [ACD/Index Name]
1J3

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: 1.644
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.15
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 16.29
ACD/KOC (pH 7.4): 229.45
Polar Surface Area: 106 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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