6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0055 |
| Compound Name: | 6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9011 |
| logD: | 1.9011 |
| logSw: | -2.8603 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.005 |
| InChI Key: | RNUNVQJCJVDMCF-UHFFFAOYSA-N |