1-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)butan-1-one
1-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8017-4509 |
| Compound Name: | 1-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)butan-1-one |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C16 H20 Cl N5 O3 S |
| Smiles: | CC(CC(N1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O)=O)n1cncn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0418 |
| logD: | 1.0417 |
| logSw: | -2.665 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.895 |
| InChI Key: | KPIAEEUOIQCJHX-ZDUSSCGKSA-N |