3-ethyl-6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
3-ethyl-6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0435 |
| Compound Name: | 3-ethyl-6-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C22 H25 N3 O6 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(COc1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7344 |
| logD: | 2.7344 |
| logSw: | -3.3613 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.49 |
| InChI Key: | MCNDJCZMODWBES-UHFFFAOYSA-N |