ChemSpider 2D Image | N-[(2Z)-2-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-8-methyl-3,4-dioxo-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-2-oxo-2-(1-pyrrolidinyl)acetamide | C24H29FN6O5

N-[(2Z)-2-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-8-methyl-3,4-dioxo-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-2-oxo-2-(1-pyrrolidinyl)acetamide

  • Molecular FormulaC24H29FN6O5
  • Average mass500.523 Da
  • Monoisotopic mass500.218353 Da
  • ChemSpider ID17237925

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Pyrrolidineacetamide, N-[(2Z)-2-[[[(4-fluorophenyl)methyl]amino]hydroxymethylene]-2,3,4,6,7,8,9,10-octahydro-8-methyl-3,4-dioxopyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-α-oxo- [ACD/Index Name]
N-[(2Z)-2-{[(4-Fluorbenzyl)amino](hydroxy)methylen}-8-methyl-3,4-dioxo-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-2-oxo-2-(1-pyrrolidinyl)acetamid [German] [ACD/IUPAC Name]
N-[(2Z)-2-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-8-methyl-3,4-dioxo-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-2-oxo-2-(1-pyrrolidinyl)acetamide [ACD/IUPAC Name]
N-[(2Z)-2-{[(4-Fluorobenzyl)amino](hydroxy)méthylène}-8-méthyl-3,4-dioxo-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-d][1,4]diazépin-10-yl]-N-méthyl-2-oxo-2-(1-pyrrolidinyl)acétamide [French] [ACD/IUPAC 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: 618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.6±34.3 °C
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: -1.60
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.22
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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