6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0137 |
| Compound Name: | 6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C20 H21 N3 O6 S2 |
| Smiles: | COc1ccc(cc1)OCC(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0589 |
| logD: | 2.0372 |
| logSw: | -3.0029 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.069 |
| InChI Key: | IIWWZSNWPASUDQ-UHFFFAOYSA-N |