3-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
3-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0216 |
| Compound Name: | 3-ethyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccc(C)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1198 |
| logD: | 3.1198 |
| logSw: | -3.4941 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.703 |
| InChI Key: | KPSQJKOCEXBCHN-UHFFFAOYSA-N |