ChemSpider 2D Image | VU0400195 | C21H16ClN3O3

VU0400195

  • Molecular FormulaC21H16ClN3O3
  • Average mass393.823 Da
  • Monoisotopic mass393.088013 Da
  • ChemSpider ID26340672

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-chloro-4-[(3aR,4S,7R)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]phenyl]- [ACD/Index Name]
2-Pyridinecarboximidic acid, N-[3-chloro-4-[(3aR,4S,7R)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]phenyl]- [ACD/Index Name]
Acide N-{3-chloro-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]phényl}-2-pyridinecarboximidique [French] [ACD/IUPAC Name]
N-{3-Chlor-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-Chlor-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl}-2-pyridincarboximidsäure [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-Chloro-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]phényl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{3-Chloro-4-[(1R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl}-2-pyridinecarboximidic acid [ACD/IUPAC Name]
VU0400195
1309434-83-0 [RN]
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 140.04
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 140.00
Polar Surface Area: 79 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 265.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement