ChemSpider 2D Image | N-{2-[(16aS,19R)-19-Benzyl-2-methyl-11,17-dioxo-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tetradecahydro-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-7-yl]-2-oxoethyl}benzamide | C32H39N7O4

N-{2-[(16aS,19R)-19-Benzyl-2-methyl-11,17-dioxo-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tetradecahydro-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-7-yl]-2-oxoethyl}benzamide

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID123957605

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[2-oxo-2-[(16aS,19R)-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tetradecahydro-2-methyl-11,17-dioxo-19-(phenylmethyl)-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-7 -yl]ethyl]- [ACD/Index Name]
N-{2-[(16aS,19R)-19-Benzyl-2-methyl-11,17-dioxo-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tetradecahydro-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-7-yl]-2-oxoethyl}benzamid [German] [ACD/IUPAC Name]
N-{2-[(16aS,19R)-19-Benzyl-2-methyl-11,17-dioxo-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tetradecahydro-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tetraazacyclotetradecin-7-yl]-2-oxoethyl}benzamide [ACD/IUPAC Name]
N-{2-[(16aS,19R)-19-Benzyl-2-méthyl-11,17-dioxo-5,6,8,9,10,11,13,14,15,16,16a,17,18,19-tétradécahydro-7H-pyrido[1,2-a][1,2,4]triazolo[5,1-f][1,4,7,10]tétraazacyclotétradécin-7-yl]-2-oxoéthyl}benzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 164.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.77
ACD/KOC (pH 5.5): 136.75
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.78
ACD/KOC (pH 7.4): 136.99
Polar Surface Area: 130 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 443.6±7.0 cm3

Click to predict properties on the Chemicalize site


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