6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0110 |
| Compound Name: | 6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C20 H20 Cl N3 O5 S2 |
| Smiles: | COc1ccc(CC(N2CCN(CC2)S(c2ccc3c(c2)SC(N3)=O)(=O)=O)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9736 |
| logD: | 2.952 |
| logSw: | -3.5703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.656 |
| InChI Key: | LBWQCQZNAFARQV-UHFFFAOYSA-N |