3-methyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
3-methyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
3-methyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1775 |
| Compound Name: | 3-methyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C21 H22 F3 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.052 |
| logD: | 4.0516 |
| logSw: | -4.0438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.418 |
| InChI Key: | SQJTZIVEFNVZJF-CQSZACIVSA-N |