ChemSpider 2D Image | (12R,15S)-12-Benzyl-15-(cyclohexylmethyl)-20-methoxy-2-oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.1~5,8~]tricosa-1(20),6,8(23),18,21-pentaene-11,14,17-trione | C31H38N6O5

(12R,15S)-12-Benzyl-15-(cyclohexylmethyl)-20-methoxy-2-oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.15,8]tricosa-1(20),6,8(23),18,21-pentaene-11,14,17-trione

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID62721654

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(12R,15S)-12-Benzyl-15-(cyclohexylmethyl)-20-methoxy-2-oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.15,8]tricosa-1(20),6,8(23),18,21-pentaen-11,14,17-trion [German] [ACD/IUPAC Name]
(12R,15S)-12-Benzyl-15-(cyclohexylmethyl)-20-methoxy-2-oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.15,8]tricosa-1(20),6,8(23),18,21-pentaene-11,14,17-trione [ACD/IUPAC Name]
(12R,15S)-12-Benzyl-15-(cyclohexylméthyl)-20-méthoxy-2-oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.15,8]tricosa-1(20),6,8(23),18,21-pentaène-11,14,17-trione [French] [ACD/IUPAC Name]
2-Oxa-5,6,7,10,13,16-hexaazatricyclo[16.2.2.15,8]tricosa-6,8(23),18,20,21-pentaene-11,14,17-trione, 15-(cyclohexylmethyl)-20-methoxy-12-(phenylmethyl)-, (12R,15S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.86
ACD/KOC (pH 5.5): 357.10
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.86
ACD/KOC (pH 7.4): 357.10
Polar Surface Area: 136 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 426.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement