7-methyl-2-(propan-2-yl)-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Chemical Structure Depiction of
7-methyl-2-(propan-2-yl)-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
7-methyl-2-(propan-2-yl)-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | V001-3947 |
| Compound Name: | 7-methyl-2-(propan-2-yl)-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 538.65 |
| Molecular Formula: | C25 H29 F3 N4 O2 S2 |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9507 |
| logD: | 6.5984 |
| logSw: | -6.2958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.739 |
| InChI Key: | ORZNUXHNKLRHIH-INIZCTEOSA-N |