ChemSpider 2D Image | (2S,4S)-5,7-Dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid | C17H15Cl2N3O3

(2S,4S)-5,7-Dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid

  • Molecular FormulaC17H15Cl2N3O3
  • Average mass380.225 Da
  • Monoisotopic mass379.049042 Da
  • ChemSpider ID32821885

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-5,7-Dichlor-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydro-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-5,7-Dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid [ACD/IUPAC Name]
2-Quinolinecarboxylic acid, 5,7-dichloro-1,2,3,4-tetrahydro-4-[[(phenylamino)carbonyl]amino]-, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-5,7-dichloro-4-[(phénylcarbamoyl)amino]-1,2,3,4-tétrahydro-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
(2S,4S)-5,7-dichloro-4-(3-phenylureido)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
139051-78-8 [RN]
L-689,560

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

Density: 1.5±0.1 g/cm3
Boiling Point: 549.1±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: 285.9±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 16.03
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 250.2±5.0 cm3

Click to predict properties on the Chemicalize site


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