ChemSpider 2D Image | (6R,10S)-6-Benzyl-N-(1-benzyl-4-piperidinyl)-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 | C35H41N5O5

(6R,10S)-6-Benzyl-N-(1-benzyl-4-piperidinyl)-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 FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID80827453

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,10S)-6-Benzyl-N-(1-benzyl-4-piperidinyl)-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]
(6R,10S)-6-Benzyl-N-(1-benzyl-4-piperidinyl)-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]
(6R,10S)-6-Benzyl-N-(1-benzyl-4-pipéridinyl)-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, 3,4,5,6,7,8,9,10,11,12-decahydro-4-methyl-5,8,12-trioxo-6-(phenylmethyl)-N-[1-(phenylmethyl)-4-piperidinyl]-, (6R,10S)- [ACD/Index 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: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.2±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 61.34
Polar Surface Area: 120 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 476.8±5.0 cm3

Click to predict properties on the Chemicalize site


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