ChemSpider 2D Image | 3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide | C31H31F3N6O2S

3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide

  • Molecular FormulaC31H31F3N6O2S
  • Average mass608.677 Da
  • Monoisotopic mass608.218140 Da
  • ChemSpider ID28650987

More details:

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

3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}benzamid [German] [ACD/IUPAC Name]
3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide [ACD/IUPAC Name]
3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-éthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}benzamide [French] [ACD/IUPAC Name]
3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Benzamide, 3-[2-[(cyclopropylcarbonyl)amino]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1258391-13-7 [RN]
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
3-{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}-N-{4-[(4-Ethylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl} Benzamide
HG-7-85-01
NG7

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: 1.668
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 20.91
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 175.79
ACD/KOC (pH 7.4): 1012.10
Polar Surface Area: 119 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 434.6±3.0 cm3

Click to predict properties on the Chemicalize site


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