ChemSpider 2D Image | (10S)-10-Methyl-14-[(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-7-phenyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.0~5,9~]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione | C35H37N7O6

(10S)-10-Methyl-14-[(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-7-phenyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID114948529

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10S)-10-Methyl-14-[(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-7-phenyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaen-12,19-dion [German] [ACD/IUPAC Name]
(10S)-10-Methyl-14-[(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-7-phenyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione [ACD/IUPAC Name]
(10S)-10-Méthyl-14-[2-(6-méthyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétyl]-7-phényl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tétracosa-1(24),6,8,20,22-pentaène-12,19-dione [French] [ACD/IUPAC Name]
12,8-Metheno-8H-[1,2,4]triazolo[1,5-d][1,4,7,10,14]oxatetraazacycloeicosine-13,20-dione, 18-[2-(2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-5,6,14,15,16,17,18,19,21,22-decahydro-22-methy l-2-phenyl-, (22S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 178.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.31
ACD/KOC (pH 5.5): 300.32
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.31
ACD/KOC (pH 7.4): 300.39
Polar Surface Area: 148 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 475.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement