ChemSpider 2D Image | N-[4-(Dimethylamino)butyl]-5-fluoro-6-{[3-(4-morpholinyl)propyl]amino}-3-oxo-3H-benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide | C33H38FN5O4

N-[4-(Dimethylamino)butyl]-5-fluoro-6-{[3-(4-morpholinyl)propyl]amino}-3-oxo-3H-benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID9653645

More details:

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

3H-Benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide, N-[4-(dimethylamino)butyl]-5-fluoro-6-[[3-(4-morpholinyl)propyl]amino]-3-oxo- [ACD/Index Name]
N-[4-(Dimethylamino)butyl]-5-fluor-6-{[3-(4-morpholinyl)propyl]amino}-3-oxo-3H-benzo[b]pyrido[3,2,1-kl]phenoxazin-2-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylamino)butyl]-5-fluoro-6-{[3-(4-morpholinyl)propyl]amino}-3-oxo-3H-benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide [ACD/IUPAC Name]
N-[4-(Diméthylamino)butyl]-5-fluoro-6-{[3-(4-morpholinyl)propyl]amino}-3-oxo-3H-benzo[b]pyrido[3,2,1-kl]phénoxazine-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 164.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 12.21
Polar Surface Area: 86 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

Click to predict properties on the Chemicalize site


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