3-[4-(propane-2-sulfonyl)piperazine-1-carbonyl]-1H-2-benzothiopyran-1-one
Chemical Structure Depiction of
3-[4-(propane-2-sulfonyl)piperazine-1-carbonyl]-1H-2-benzothiopyran-1-one
3-[4-(propane-2-sulfonyl)piperazine-1-carbonyl]-1H-2-benzothiopyran-1-one
Compound characteristics
| Compound ID: | Y043-8343 |
| Compound Name: | 3-[4-(propane-2-sulfonyl)piperazine-1-carbonyl]-1H-2-benzothiopyran-1-one |
| Molecular Weight: | 380.48 |
| Molecular Formula: | C17 H20 N2 O4 S2 |
| Smiles: | CC(C)S(N1CCN(CC1)C(C1=Cc2ccccc2C(=O)S1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1252 |
| logD: | 2.1252 |
| logSw: | -2.8511 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 61.67 |
| InChI Key: | KNFDZBXNQPTDRT-UHFFFAOYSA-N |