6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0195 |
| Compound Name: | 6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C22 H22 Cl N3 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.227 |
| logD: | 3.227 |
| logSw: | -3.7101 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.703 |
| InChI Key: | WCBYKTZUJVTUSF-UHFFFAOYSA-N |