ChemSpider 2D Image | 3-({[(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide | C31H40N4O6S

3-({[(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID2905007

More details:






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

3-({[(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamid [German] [ACD/IUPAC Name]
3-({[(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide [ACD/IUPAC Name]
3-({[(7,7-Diméthyl-2-oxobicyclo[2.2.1]hept-1-yl)méthyl]sulfonyl}amino)-N-(2-méthoxyéthyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl]amino]-N-(2-methoxyethyl)-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)- [ACD/Index Name]

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

CDS1_002276 [DBID]
ChemDiv1_015012 [DBID]
DivK1c_003316 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 118.77
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 101.14
Polar Surface Area: 134 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 434.1±5.0 cm3

Click to predict properties on the Chemicalize site






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