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Search term: RQXKSSUCNKSXAB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[(6-{2-[Benzyl(isopropyl)amino]-2-oxoethyl}-5-oxo-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-4-yl)amino]benzoic acid | C35H32N6O4

3-[(6-{2-[Benzyl(isopropyl)amino]-2-oxoethyl}-5-oxo-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-4-yl)amino]benzoic acid

  • Molecular FormulaC35H32N6O4
  • Average mass600.666 Da
  • Monoisotopic mass600.248474 Da
  • ChemSpider ID26362978

More details:

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

3-[(6-{2-[Benzyl(isopropyl)amino]-2-oxoethyl}-5-oxo-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-4-yl)amino]benzoesäure [German] [ACD/IUPAC Name]
3-[(6-{2-[Benzyl(isopropyl)amino]-2-oxoethyl}-5-oxo-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-4-yl)amino]benzoic acid [ACD/IUPAC Name]
Acide 3-[(6-{2-[benzyl(isopropyl)amino]-2-oxoéthyl}-5-oxo-1-phényl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazépin-4-yl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[5,6-dihydro-6-[2-[(1-methylethyl)(phenylmethyl)amino]-2-oxoethyl]-5-oxo-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-4-yl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 925.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 513.7±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 172.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 117.65
ACD/KOC (pH 5.5): 471.39
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 11.92
Polar Surface Area: 121 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 457.6±7.0 cm3

Click to predict properties on the Chemicalize site


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