ChemSpider 2D Image | (5E)-N-Benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide | C25H27ClN2O5

(5E)-N-Benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide

  • Molecular FormulaC25H27ClN2O5
  • Average mass470.945 Da
  • Monoisotopic mass470.160858 Da
  • ChemSpider ID26325319

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5E)-N-Benzyl-13-chlor-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecin-10-carboxamid [German] [ACD/IUPAC Name]
(5E)-N-Benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide [ACD/IUPAC Name]
(5E)-N-Benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-décahydro-2-benzazacyclotétradécine-10-carboxamide [French] [ACD/IUPAC Name]
2-Benzazacyclotetradecine-10-carboxamide, 13-chloro-1,2,3,4,7,8,9,10,11,12-decahydro-14,16-dihydroxy-1,11-dioxo-N-(phenylmethyl)-, (5E)- [ACD/Index Name]
13N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 441.90
ACD/KOC (pH 5.5): 2646.58
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 41.35
ACD/KOC (pH 7.4): 247.68
Polar Surface Area: 116 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 370.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement