ChemSpider 2D Image | (6S,10S)-6-Benzyl-N-[2-(4-biphenylyloxy)ethyl]-4-methyl-5,8,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide | C37H38N4O6

(6S,10S)-6-Benzyl-N-[2-(4-biphenylyloxy)ethyl]-4-methyl-5,8,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID80825177

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,10S)-6-Benzyl-N-[2-(4-biphenylyloxy)ethyl]-4-methyl-5,8,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecin-10-carboxamid [German] [ACD/IUPAC Name]
(6S,10S)-6-Benzyl-N-[2-(4-biphenylyloxy)ethyl]-4-methyl-5,8,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide [ACD/IUPAC Name]
(6S,10S)-6-Benzyl-N-[2-(4-biphénylyloxy)éthyl]-4-méthyl-5,8,12-trioxo-3,4,5,6,7,8,9,10,11,12-décahydro-2H-1,4,7,11-benzoxatriazacyclotétradécine-10-carboxamide [French] [ACD/IUPAC Name]
2H-1,4,7,11-Benzoxatriazacyclotetradecine-10-carboxamide, N-[2-([1,1'-biphenyl]-4-yloxy)ethyl]-3,4,5,6,7,8,9,10,11,12-decahydro-4-methyl-5,8,12-trioxo-6-(phenylmethyl)-, (6S,10S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 992.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 553.8±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.54
ACD/KOC (pH 5.5): 1366.09
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.54
ACD/KOC (pH 7.4): 1366.08
Polar Surface Area: 126 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 530.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement