6-(4-methylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(4-methylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
6-(4-methylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F818-0112 |
| Compound Name: | 6-(4-methylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 313.39 |
| Molecular Formula: | C12 H15 N3 O3 S2 |
| Smiles: | CN1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3222 |
| logD: | 1.2379 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.574 |
| InChI Key: | IXXIGWVTNIAUHO-UHFFFAOYSA-N |