ChemSpider 2D Image | MFCD01074699 | C32H31N3O5

MFCD01074699

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID2036980

More details:

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

(5-Cyclohexyl-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetic acid [ACD/IUPAC Name]
(5-Cyclohexyl-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-1-acetic acid, 5-cyclohexyl-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo- [ACD/Index Name]
2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-cyclohexyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetic acid
269078-83-3 [RN]
5-Cyclohexyl-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-1H-1,4-benzodiazepine-1-acetic acid
Acide (5-cyclohexyl-3-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-1-yl)acétique [French] [ACD/IUPAC Name]
MFCD01074699
(5-CYCLOHEXYL-3-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-2-OXO-3H-1,4-BENZODIAZEPIN-1-YL)ACETIC ACID
(R,S)-FMOC-3-AMINO-N-1-CARBOXYMETHYL-2-OXO-5-CYCLOHEXYL-1,4-BENZODIAZEPINE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 20.10
ACD/KOC (pH 5.5): 79.27
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 108 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 391.6±7.0 cm3

Click to predict properties on the Chemicalize site


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