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Search term: GZOQTTQGXSENKL-QNGWXLTQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(3S)-3-{[(3-Benzoylphenyl)carbamoyl]amino}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide | C41H37N5O6

2-[(3S)-3-{[(3-Benzoylphenyl)carbamoyl]amino}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide

  • Molecular FormulaC41H37N5O6
  • Average mass695.762 Da
  • Monoisotopic mass695.274414 Da
  • ChemSpider ID9745942

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,5-Benzodiazepine-1-acetamide, 3-[[[(3-benzoylphenyl)amino]carbonyl]amino]-2,3,4,5-tetrahydro-N-(4-methoxyphenyl)-N-(1-methylethyl)-2,4-dioxo-5-phenyl-, (3S)- [ACD/Index Name]
2-[(3S)-3-{[(3-benzoylphenyl)carbamoyl]amino}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-(propan-2-yl)acetamide
2-[(3S)-3-{[(3-Benzoylphenyl)carbamoyl]amino}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(3S)-3-{[(3-Benzoylphenyl)carbamoyl]amino}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-[(3S)-3-{[(3-Benzoylphényl)carbamoyl]amino}-2,4-dioxo-5-phényl-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-1-yl]-N-isopropyl-N-(4-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
(S)-2-{3-[3-(4-Benzoylphenyl)ureido]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl}-N-isopropyl-N-(4-methoxyphenyl)acetamide
CHEMBL381347
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381347/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 942.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 524.0±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 195.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1786.45
ACD/KOC (pH 5.5): 7397.36
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1507.11
ACD/KOC (pH 7.4): 6240.64
Polar Surface Area: 128 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 509.3±5.0 cm3

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