ChemSpider 2D Image | N-(1H-Benzotriazol-5-ylcarbonyl)-L-alpha-aspartyl-3-(3-pyridinyl)-L-alaninamide | C19H19N7O5

N-(1H-Benzotriazol-5-ylcarbonyl)-L-α-aspartyl-3-(3-pyridinyl)-L-alaninamide

  • Molecular FormulaC19H19N7O5
  • Average mass425.398 Da
  • Monoisotopic mass425.144775 Da
  • ChemSpider ID23150347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-(1H-1,2,3-benzotriazol-5-ylcarbonyl)-L-α-aspartyl-3-(3-pyridinyl)- [ACD/Index Name]
N-(1H-Benzotriazol-5-ylcarbonyl)-L-α-asparagyl-3-(3-pyridinyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-(1H-Benzotriazol-5-ylcarbonyl)-L-α-aspartyl-3-(3-pyridinyl)-L-alaninamide [ACD/IUPAC Name]
N-(1H-Benzotriazol-5-ylcarbonyl)-L-α-aspartyl-3-(3-pyridinyl)-L-alaninamide [French] [ACD/IUPAC Name]
(S)-3-[(1H-Benzotriazole-5-carbonyl)-amino]-N-((S)-1-carbamoyl-2-pyridin-3-yl-ethyl)-succinamic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292465/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1028.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.5±3.0 kJ/mol
Flash Point: 575.9±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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