6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0205 |
| Compound Name: | 6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C23 H27 N3 O7 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8977 |
| logD: | 1.8977 |
| logSw: | -2.7129 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.964 |
| InChI Key: | JDTMIRKIJRSMOG-UHFFFAOYSA-N |