6-{4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0063 |
| Compound Name: | 6-{4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1775 |
| logD: | 2.1775 |
| logSw: | -3.0135 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.288 |
| InChI Key: | ITCUTKMOHZNLOE-UHFFFAOYSA-N |