ChemSpider 2D Image | 17-Methyl-12-(3-methylbutyl)-7-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3,7,12,17,18-pentaazatricyclo[11.5.2.0~16,19~]icosa-1(18),16(19)-diene-2,11-dione | C29H40N6O6S

17-Methyl-12-(3-methylbutyl)-7-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3,7,12,17,18-pentaazatricyclo[11.5.2.016,19]icosa-1(18),16(19)-diene-2,11-dione

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID107750067

More details:

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

17-Methyl-12-(3-methylbutyl)-7-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3,7,12,17,18-pentaazatricyclo[11.5.2.016,19]icosa-1(18),16(19)-dien-2,11-dion [German] [ACD/IUPAC Name]
17-Methyl-12-(3-methylbutyl)-7-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3,7,12,17,18-pentaazatricyclo[11.5.2.016,19]icosa-1(18),16(19)-diene-2,11-dione [ACD/IUPAC Name]
17-Méthyl-12-(3-méthylbutyl)-7-[(3-méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3,7,12,17,18-pentaazatricyclo[11.5.2.016,19]icosa-1(18),16(19)-diène-2,11-dione [French] [ACD/IUPAC Name]
3,5-Ethanopyrazolo[4,3-m][1,5,10]triazacyclopentadecine-7,16-dione, 11-[(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]-2,4,5,6,8,9,10,11,12,13,14,15-dodecahydro-2-methyl-6-(3-methylbutyl)- [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: 1.670
Molar Refractivity: 158.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.55
ACD/KOC (pH 5.5): 640.94
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.55
ACD/KOC (pH 7.4): 640.95
Polar Surface Area: 143 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

Click to predict properties on the Chemicalize site


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