ChemSpider 2D Image | (4-Chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]acetic acid | C23H15Cl2IN2O4

(4-Chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]acetic acid

  • Molecular FormulaC23H15Cl2IN2O4
  • Average mass581.187 Da
  • Monoisotopic mass579.945374 Da
  • ChemSpider ID571179
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-(4-Chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]acetic acid [ACD/IUPAC Name]
(2S)-(4-Chlorphenyl)[(3S)-3-(4-chlorphenyl)-7-iod-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]essigsäure [German] [ACD/IUPAC Name]
(4-Chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]acetic acid [ACD/IUPAC Name]
4H-1,4-Benzodiazepine-4-acetic acid, α,3-bis(4-chlorophenyl)-1,2,3,5-tetrahydro-7-iodo-2,5-dioxo-, (αS,3S)- [ACD/Index Name]
Acide (2S)-(4-chlorophényl)[(3S)-3-(4-chlorophényl)-7-iodo-2,5-dioxo-1,2,3,5-tétrahydro-4H-1,4-benzodiazépin-4-yl]acétique [French] [ACD/IUPAC Name]
(S)-2-(4-chlorophenyl)-2-((S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-4(5H)-yl)acetic acid
848126-43-2 [RN]
879484-94-3 [RN]
benzodiazepinedione, 1
DI-CHLORO-BENZO-DIAZEPINE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 13.36
ACD/KOC (pH 5.5): 39.01
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 87 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site






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