ChemSpider 2D Image | 2-{(3R)-3-Benzyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide | C33H39N5O5S

2-{(3R)-3-Benzyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID68645887

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Oxa-4,9-diazaspiro[5.5]undecane-9-acetamide, N-(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-4-[(4-methylphenyl)sulfonyl]-3-(phenylmethyl)-, (3R)- [ACD/Index Name]
2-{(3R)-3-Benzyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamid [German] [ACD/IUPAC Name]
2-{(3R)-3-Benzyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide [ACD/IUPAC Name]
2-{(3R)-3-Benzyl-4-[(4-méthylphényl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undéc-9-yl}-N-(1,3-diméthyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acétamide [French] [ACD/IUPAC 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: 1.683
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 246.48
ACD/KOC (pH 5.5): 641.41
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6246.78
ACD/KOC (pH 7.4): 16255.50
Polar Surface Area: 111 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 447.1±5.0 cm3

Click to predict properties on the Chemicalize site


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