6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0046 |
| Compound Name: | 6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C20 H18 Cl N3 O4 S2 |
| Smiles: | C1CN(CCN1C(/C=C/c1ccccc1[Cl])=O)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5226 |
| logD: | 3.5009 |
| logSw: | -3.8171 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.026 |
| InChI Key: | MSCHDOOCJCOZBV-UHFFFAOYSA-N |