2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | K788-9231 |
| Compound Name: | 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C26 H28 F3 N3 O4 S |
| Smiles: | Cc1c(CSCC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6299 |
| logD: | 4.6298 |
| logSw: | -4.5949 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.002 |
| InChI Key: | JMHTVCGFWOMAMH-UHFFFAOYSA-N |