ChemSpider 2D Image | Methyl 3-(4-methoxy-2,5-dimethylbenzyl)-9-[(1-methyl-3-piperidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate | C28H39N3O5

Methyl 3-(4-methoxy-2,5-dimethylbenzyl)-9-[(1-methyl-3-piperidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

  • Molecular FormulaC28H39N3O5
  • Average mass497.626 Da
  • Monoisotopic mass497.288971 Da
  • ChemSpider ID22140193

More details:

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

3-(4-Méthoxy-2,5-diméthylbenzyl)-9-[(1-méthyl-3-pipéridinyl)méthoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazépine-10-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-methoxy-2,5-dimethylbenzyl)-9-[(1-methyl-3-piperidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate [ACD/IUPAC Name]
Methyl-3-(4-methoxy-2,5-dimethylbenzyl)-9-[(1-methyl-3-piperidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepin-10-carboxylat [German] [ACD/IUPAC Name]
Pyrido[1,2-d][1,4]diazepine-10-carboxylic acid, 1,2,3,4,5,7-hexahydro-3-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-[(1-methyl-3-piperidinyl)methoxy]-7-oxo-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 72 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

Click to predict properties on the Chemicalize site


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