ChemSpider 2D Image | N-(4-Fluorobenzyl)-3-hydroxy-8-methyl-10-{methyl[oxo(1-pyrrolidinyl)acetyl]amino}-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide | C24H29FN6O5

N-(4-Fluorobenzyl)-3-hydroxy-8-methyl-10-{methyl[oxo(1-pyrrolidinyl)acetyl]amino}-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide

  • Molecular FormulaC24H29FN6O5
  • Average mass500.523 Da
  • Monoisotopic mass500.218353 Da
  • ChemSpider ID34557693

More details:

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

N-(4-Fluorbenzyl)-3-hydroxy-8-methyl-10-{methyl[oxo(1-pyrrolidinyl)acetyl]amino}-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazepin-2-carboxamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-hydroxy-8-méthyl-10-{méthyl[2-oxo-2-(1-pyrrolidinyl)acétyl]amino}-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazépine-2-carboxamide [French] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-hydroxy-8-methyl-10-{methyl[oxo(1-pyrrolidinyl)acetyl]amino}-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide [ACD/IUPAC Name]
Pyrimido[1,2-d][1,4]diazepine-2-carboxamide, 10-[[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]methylamino]-N-[(4-fluorophenyl)methyl]-4,6,7,8,9,10-hexahydro-3-hydroxy-8-methyl-4-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

Click to predict properties on the Chemicalize site


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