ChemSpider 2D Image | (1S,2S)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide | C25H24N4OS

(1S,2S)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

  • Molecular FormulaC25H24N4OS
  • Average mass428.549 Da
  • Monoisotopic mass428.167084 Da
  • ChemSpider ID31148566

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1S,2S)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide [ACD/IUPAC Name]
(1S,2S)-2-{4-[(Diméthylamino)méthyl]phényl}-N-[6-(3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
Cyclopropanecarboxamide, 2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(3-pyridinyl)-2-benzothiazolyl]-, (1S,2S)- [ACD/Index Name]
29Z

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: 1.701
Molar Refractivity: 126.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 5.75
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 30.86
ACD/KOC (pH 7.4): 147.85
Polar Surface Area: 86 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

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