ChemSpider 2D Image | (1R,9R)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C27H29N5O6S

(1R,9R)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID10054199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9R)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
(1R,9R)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(1R,9R)-5-{[(4-Acétamidophényl)sulfonyl]amino}-N-(4-méthoxyphényl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 9-[[[4-(acetylamino)phenyl]sulfonyl]amino]-1,5,6,8-tetrahydro-N-(4-methoxyphenyl)-8-oxo-, (1R,5R)- [ACD/Index Name]

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

ZINC04150084 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 74.74
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 146 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 375.1±5.0 cm3

Click to predict properties on the Chemicalize site


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