1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorobenzene-1-sulfonyl)propan-1-one
Chemical Structure Depiction of
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorobenzene-1-sulfonyl)propan-1-one
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorobenzene-1-sulfonyl)propan-1-one
Compound characteristics
| Compound ID: | G856-9497 |
| Compound Name: | 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorobenzene-1-sulfonyl)propan-1-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H24 F N3 O3 S2 |
| Smiles: | Cc1ccc2c(c1C)nc(N1CCN(CC1)C(CCS(c1ccc(cc1)F)(=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8169 |
| logD: | 3.8168 |
| logSw: | -3.884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.962 |
| InChI Key: | BQTNVQMBEFCFNI-UHFFFAOYSA-N |