6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0055 |
| Compound Name: | 6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | COc1ccc(/C=C/C(N2CCN(CC2)S(c2ccc3c(c2)SC(N3)=O)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6979 |
| logD: | 2.6763 |
| logSw: | -3.3912 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.287 |
| InChI Key: | VMKWOAGLILBGIY-UHFFFAOYSA-N |