6-(4-methylpiperazine-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(4-methylpiperazine-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
6-(4-methylpiperazine-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-0505 |
| Compound Name: | 6-(4-methylpiperazine-1-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C20 H28 N4 O4 S2 |
| Smiles: | CN1CCN(CC1)S(c1ccc2c(c1)SC(N2CCC(N1CCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8884 |
| logD: | 1.8258 |
| logSw: | -2.5863 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 67.37 |
| InChI Key: | MRYXQPYLBFQHLR-UHFFFAOYSA-N |