ChemSpider 2D Image | Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate | C23H23N7O5

Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate

  • Molecular FormulaC23H23N7O5
  • Average mass477.473 Da
  • Monoisotopic mass477.176056 Da
  • ChemSpider ID32512960
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{5-[3-({3-[(3S)-2,5-Dioxo-2,3,4,5-tétrahydro-1H-1,4-benzodiazépin-3-yl]propanoyl}amino)phényl]-2H-tétrazol-2-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
2H-Tetrazole-2-acetic acid, 5-[3-[[1-oxo-3-[(3S)-2,3,4,5-tetrahydro-2,5-dioxo-1H-1,4-benzodiazepin-3-yl]propyl]amino]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate [ACD/IUPAC Name]
Ethyl-{5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetat [German] [ACD/IUPAC Name]
(S)-ethyl 2-(5-(3-(3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)propanamido)phenyl)-2H-tetrazol-2-yl)acetate
1630928-50-5 [RN]
C23H23N7O5
ethyl 2-[5-[3-[3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoylamino]phenyl]tetrazol-2-yl]acetate
MolPort-035-702-621

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.39
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.39
Polar Surface Area: 157 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 322.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement