ChemSpider 2D Image | (3R)-N,N-Dimethyl-3-{[(1-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-5-yl)carbamoyl]amino}-1-piperidinesulfonamide | C15H27N7O3S

(3R)-N,N-Dimethyl-3-{[(1-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-5-yl)carbamoyl]amino}-1-piperidinesulfonamide

  • Molecular FormulaC15H27N7O3S
  • Average mass385.485 Da
  • Monoisotopic mass385.189606 Da
  • ChemSpider ID64915202

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-N,N-Dimethyl-3-{[(1-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-5-yl)carbamoyl]amino}-1-piperidinesulfonamide [ACD/IUPAC Name]
(3R)-N,N-Diméthyl-3-{[(1-méthyl-4,5,6,7-tétrahydro-1H-benzotriazol-5-yl)carbamoyl]amino}-1-pipéridinesulfonamide [French] [ACD/IUPAC Name]
(3R)-N,N-Dimethyl-3-{[(1-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-5-yl)carbamoyl]amino}-1-piperidinsulfonamid [German] [ACD/IUPAC Name]
1-Piperidinesulfonamide, N,N-dimethyl-3-[[[(4,5,6,7-tetrahydro-1-methyl-1H-1,2,3-benzotriazol-5-yl)amino]carbonyl]amino]-, (3R)- [ACD/Index Name]

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: 1.697
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.44
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.45
Polar Surface Area: 121 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 254.7±7.0 cm3

Click to predict properties on the Chemicalize site


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