3-methyl-1-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}butan-1-one
3-methyl-1-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | K940-3794 |
| Compound Name: | 3-methyl-1-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 352.49 |
| Molecular Formula: | C18 H28 N2 O3 S |
| Smiles: | CC(C)CC(N1CCN(CC1)S(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4639 |
| logD: | 3.4639 |
| logSw: | -3.6862 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.15 |
| InChI Key: | QMMLUCZBQVGKEF-UHFFFAOYSA-N |