ChemSpider 2D Image | 4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-methoxy-N-(1-methyl-4-piperidinyl)benzamide | C27H35F2N7O3

4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-methoxy-N-(1-methyl-4-piperidinyl)benzamide

  • Molecular FormulaC27H35F2N7O3
  • Average mass543.609 Da
  • Monoisotopic mass543.276917 Da
  • ChemSpider ID30826062

More details:

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

4-[(9-Cyclopentyl-7,7-difluor-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-methoxy-N-(1-methyl-4-piperidinyl)benzamid [German] [ACD/IUPAC Name]
4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-methoxy-N-(1-methyl-4-piperidinyl)benzamide [ACD/IUPAC Name]
4-[(9-Cyclopentyl-7,7-difluoro-5-méthyl-6-oxo-6,7,8,9-tétrahydro-5H-pyrimido[4,5-b][1,4]diazépin-2-yl)amino]-2-méthoxy-N-(1-méthyl-4-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-methoxy-N-(1-methyl-4-piperidinyl)- [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: 1.623
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 37.73
Polar Surface Area: 103 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 399.1±5.0 cm3

Click to predict properties on the Chemicalize site


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