ChemSpider 2D Image | (1R)-9-[(1,3-Dimethyl-3-azetidinyl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one | C23H27N5O2

(1R)-9-[(1,3-Dimethyl-3-azetidinyl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one

  • Molecular FormulaC23H27N5O2
  • Average mass405.493 Da
  • Monoisotopic mass405.216461 Da
  • ChemSpider ID35035211

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-9-[(1,3-Dimethyl-3-azetidinyl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-on [German] [ACD/IUPAC Name]
(1R)-9-[(1,3-Dimethyl-3-azetidinyl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one [ACD/IUPAC Name]
(1R)-9-[(1,3-Diméthyl-3-azétidinyl)(méthyl)amino]-1-méthyl-8-phényl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one [French] [ACD/IUPAC Name]
(1r)-9-[(1,3-Dimethylazetidin-3-Yl)(Methyl)amino]-1-Methyl-8-Phenyl-3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One
[1,2,4]Triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 9-[(1,3-dimethyl-3-azetidinyl)methylamino]-3,5-dihydro-1-methyl-8-phenyl-, (1R)- [ACD/Index Name]
3L0
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3355117/

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: 1.677
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 60 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement