3-methyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
3-methyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0067 |
| Compound Name: | 3-methyl-6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1ccc(/C=C/C(N2CCN(CC2)S(c2ccc3c(c2)OC(N3C)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6185 |
| logD: | 2.6185 |
| logSw: | -3.2112 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.744 |
| InChI Key: | PXCOYTBIXMVRRU-UHFFFAOYSA-N |