ChemSpider 2D Image | N-{4-[(4aS,11S,16aR)-2-(2-Hydroxybenzyl)-7-methyl-6,9,13-trioxooctadecahydropyrido[3,4-k][1,4,8]triazacyclotetradecin-11-yl]butyl}benzamide | C33H45N5O5

N-{4-[(4aS,11S,16aR)-2-(2-Hydroxybenzyl)-7-methyl-6,9,13-trioxooctadecahydropyrido[3,4-k][1,4,8]triazacyclotetradecin-11-yl]butyl}benzamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID90615289

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[4-[(4aS,11S,16aR)-octadecahydro-2-[(2-hydroxyphenyl)methyl]-7-methyl-6,9,13-trioxopyrido[3,4-k][1,4,8]triazacyclotetradecin-11-yl]butyl]- [ACD/Index Name]
N-{4-[(4aS,11S,16aR)-2-(2-Hydroxybenzyl)-7-methyl-6,9,13-trioxooctadecahydropyrido[3,4-k][1,4,8]triazacyclotetradecin-11-yl]butyl}benzamid [German] [ACD/IUPAC Name]
N-{4-[(4aS,11S,16aR)-2-(2-Hydroxybenzyl)-7-methyl-6,9,13-trioxooctadecahydropyrido[3,4-k][1,4,8]triazacyclotetradecin-11-yl]butyl}benzamide [ACD/IUPAC Name]
N-{4-[(4aS,11S,16aR)-2-(2-Hydroxybenzyl)-7-méthyl-6,9,13-trioxooctadécahydropyrido[3,4-k][1,4,8]triazacyclotétradécin-11-yl]butyl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 902.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 499.8±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.51
Polar Surface Area: 131 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 516.1±3.0 cm3

Click to predict properties on the Chemicalize site


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