ChemSpider 2D Image | (2S)-[(3S)-8-Chloro-3-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl](4-chlorophenyl)acetic acid | C23H15Cl3N2O4

(2S)-[(3S)-8-Chloro-3-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl](4-chlorophenyl)acetic acid

  • Molecular FormulaC23H15Cl3N2O4
  • Average mass489.735 Da
  • Monoisotopic mass488.009735 Da
  • ChemSpider ID23246722

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-[(3S)-8-Chlor-3-(4-chlorphenyl)-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl](4-chlorphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-[(3S)-8-Chloro-3-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl](4-chlorophenyl)acetic acid [ACD/IUPAC Name]
(2S)-[(3S)-8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl](4-chlorophenyl)ethanoic acid
4H-1,4-Benzodiazepine-4-acetic acid, 8-chloro-α,3-bis(4-chlorophenyl)-1,2,3,5-tetrahydro-2,5-dioxo-, (αS,3S)- [ACD/Index Name]
Acide (2S)-[(3S)-8-chloro-3-(4-chlorophényl)-2,5-dioxo-1,2,3,5-tétrahydro-4H-1,4-benzodiazépin-4-yl](4-chlorophényl)acétique [French] [ACD/IUPAC Name]
[(S)-8-Chloro-3-((S)-4-chloro-phenyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-(4-chloro-phenyl)-acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 8.07
ACD/KOC (pH 5.5): 26.87
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 87 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 324.3±3.0 cm3

Click to predict properties on the Chemicalize site


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