ChemSpider 2D Image | N-(4-Methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide | C21H22N4O6S3

N-(4-Methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide

  • Molecular FormulaC21H22N4O6S3
  • Average mass522.618 Da
  • Monoisotopic mass522.070129 Da
  • ChemSpider ID20924553

More details:

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

4-Piperidinecarboxamide, N-(4-methoxy-6-nitro-2-benzothiazolyl)-1-[[4-(methylthio)phenyl]sulfonyl]- [ACD/Index Name]
N-(4-Methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(4-Methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(4-Méthoxy-6-nitro-1,3-benzothiazol-2-yl)-1-{[4-(méthylsulfanyl)phényl]sulfonyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)-1-((4-(methylthio)phenyl)sulfonyl)piperidine-4-carboxamide

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: 1.708
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 812.43
ACD/KOC (pH 5.5): 4211.21
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 802.08
ACD/KOC (pH 7.4): 4157.54
Polar Surface Area: 196 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 339.0±5.0 cm3

Click to predict properties on the Chemicalize site


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