2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethan-1-one
2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V001-6546 |
| Compound Name: | 2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 577.69 |
| Molecular Formula: | C28 H30 F3 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1cccc(c1)C(F)(F)F)(=O)=O)C(CN1CCc2c(ccs2)C1c1ccccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3484 |
| logD: | 5.3235 |
| logSw: | -5.4175 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.036 |
| InChI Key: | OFVOQVIWVWWOEJ-UHFFFAOYSA-N |