ChemSpider 2D Image | (1R,3S)-N-{2-[(Cyclopentylcarbonyl)amino]-1,3-benzothiazol-6-yl}-3-[(1-naphthylmethyl)amino]cyclohexanecarboxamide | C31H34N4O2S

(1R,3S)-N-{2-[(Cyclopentylcarbonyl)amino]-1,3-benzothiazol-6-yl}-3-[(1-naphthylmethyl)amino]cyclohexanecarboxamide

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID4439035

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-N-{2-[(Cyclopentylcarbonyl)amino]-1,3-benzothiazol-6-yl}-3-[(1-naphthylmethyl)amino]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,3S)-N-{2-[(Cyclopentylcarbonyl)amino]-1,3-benzothiazol-6-yl}-3-[(1-naphthylmethyl)amino]cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,3S)-N-{2-[(Cyclopentylcarbonyl)amino]-1,3-benzothiazol-6-yl}-3-[(1-naphtylméthyl)amino]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-[2-[(cyclopentylcarbonyl)amino]-6-benzothiazolyl]-3-[(1-naphthalenylmethyl)amino]-, (1R,3S)- [ACD/Index Name]

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

AIDS227231 [DBID]
AIDS-227231 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 11.67
ACD/KOC (pH 5.5): 28.18
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 180.07
ACD/KOC (pH 7.4): 434.73
Polar Surface Area: 111 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


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