ChemSpider 2D Image | 2-{(1R,13R,18S)-13-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-11,14-dioxo-4-oxa-6,12,15-triazatricyclo[13.3.1.0~5,10~]nonadeca-5,7,9-trien-18-yl}-N-cyclopentylacetamide | C32H39N7O4

2-{(1R,13R,18S)-13-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-11,14-dioxo-4-oxa-6,12,15-triazatricyclo[13.3.1.05,10]nonadeca-5,7,9-trien-18-yl}-N-cyclopentylacetamide

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID84488663
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-{(1R,13R,18S)-13-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-11,14-dioxo-4-oxa-6,12,15-triazatricyclo[13.3.1.05,10]nonadeca-5,7,9-trien-18-yl}-N-cyclopentylacetamid [German] [ACD/IUPAC Name]
2-{(1R,13R,18S)-13-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-11,14-dioxo-4-oxa-6,12,15-triazatricyclo[13.3.1.05,10]nonadeca-5,7,9-trien-18-yl}-N-cyclopentylacetamide [ACD/IUPAC Name]
2-{(1R,13R,18S)-13-[(1-Benzyl-1H-1,2,3-triazol-4-yl)méthyl]-11,14-dioxo-4-oxa-6,12,15-triazatricyclo[13.3.1.05,10]nonadéca-5,7,9-trién-18-yl}-N-cyclopentylacétamide [French] [ACD/IUPAC Name]
9,13-Methano-9H-pyrido[2,3-b][1,5,8]oxadiazacyclotetradecine-12-acetamide, N-cyclopentyl-5,6,7,8,10,11,12,13,14,15-decahydro-5,8-dioxo-7-[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-, (7R,12S,13R) - [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.20
ACD/KOC (pH 5.5): 299.14
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.20
ACD/KOC (pH 7.4): 299.26
Polar Surface Area: 131 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 419.1±7.0 cm3

Click to predict properties on the Chemicalize site






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