ChemSpider 2D Image | N-{[1-(2,6-Dichlorobenzyl)-3-(1-pyrrolidinylmethyl)-1H-indol-6-yl]carbamoyl}-3,4-difluoro-D-phenylalanyl-N-(2-aminoethyl)-3-(4-pyridinyl)-L-alaninamide | C40H42Cl2F2N8O3

N-{[1-(2,6-Dichlorobenzyl)-3-(1-pyrrolidinylmethyl)-1H-indol-6-yl]carbamoyl}-3,4-difluoro-D-phenylalanyl-N-(2-aminoethyl)-3-(4-pyridinyl)-L-alaninamide

  • Molecular FormulaC40H42Cl2F2N8O3
  • Average mass791.716 Da
  • Monoisotopic mass790.272522 Da
  • ChemSpider ID8072835

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-[[[1-[(2,6-dichlorophenyl)methyl]-3-(1-pyrrolidinylmethyl)-1H-indol-6-yl]amino]carbonyl]-3,4-difluoro-D-phenylalanyl-N-(2-aminoethyl)-3-(4-pyridinyl)- [ACD/Index Name]
N-{[1-(2,6-Dichlorbenzyl)-3-(1-pyrrolidinylmethyl)-1H-indol-6-yl]carbamoyl}-3,4-difluor-D-phenylalanyl-N-(2-aminoethyl)-3-(4-pyridinyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-{[1-(2,6-Dichlorobenzyl)-3-(1-pyrrolidinylmethyl)-1H-indol-6-yl]carbamoyl}-3,4-difluoro-D-phenylalanyl-N-(2-aminoethyl)-3-(4-pyridinyl)-L-alaninamide [ACD/IUPAC Name]
N-{[1-(2,6-Dichlorobenzyl)-3-(1-pyrrolidinylméthyl)-1H-indol-6-yl]carbamoyl}-3,4-difluoro-D-phénylalanyl-N-(2-aminoéthyl)-3-(4-pyridinyl)-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1001.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.4±3.0 kJ/mol
Flash Point: 559.7±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 208.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.85
Polar Surface Area: 146 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 561.6±7.0 cm3

Click to predict properties on the Chemicalize site


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