7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Chemical Structure Depiction of
7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Compound characteristics
| Compound ID: | C367-0106 |
| Compound Name: | 7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C26 H23 F3 N4 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N3C=CC=C(C3=Nc1s2)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3224 |
| logD: | 4.3224 |
| logSw: | -4.5503 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.237 |
| InChI Key: | XVOUUWVPXIQFOX-UHFFFAOYSA-N |