ChemSpider 2D Image | 2-[(Adamantan-1-ylcarbamoyl)amino]-2-oxoethyl 2-methyl-5-(1-piperidinylsulfonyl)benzoate | C26H35N3O6S

2-[(Adamantan-1-ylcarbamoyl)amino]-2-oxoethyl 2-methyl-5-(1-piperidinylsulfonyl)benzoate

  • Molecular FormulaC26H35N3O6S
  • Average mass517.638 Da
  • Monoisotopic mass517.224670 Da
  • ChemSpider ID3432428

More details:

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

2-[(Adamantan-1-ylcarbamoyl)amino]-2-oxoethyl 2-methyl-5-(1-piperidinylsulfonyl)benzoate [ACD/IUPAC Name]
2-[(Adamantan-1-ylcarbamoyl)amino]-2-oxoethyl-2-methyl-5-(1-piperidinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
2-Méthyl-5-(1-pipéridinylsulfonyl)benzoate de 2-[(adamantan-1-ylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-methyl-5-(1-piperidinylsulfonyl)-, 2-oxo-2-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]ethyl ester [ACD/Index Name]

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

MLS000336629 [DBID]
SMR000248241 [DBID]

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: 1.620
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1927.17
ACD/KOC (pH 5.5): 7814.69
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1891.30
ACD/KOC (pH 7.4): 7669.27
Polar Surface Area: 130 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 379.4±5.0 cm3

Click to predict properties on the Chemicalize site


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