6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0067 |
| Compound Name: | 6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(/C=C/C(N2CCN(CC2)S(c2ccc3c(c2)SC(N3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4154 |
| logD: | 3.3937 |
| logSw: | -3.8319 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.026 |
| InChI Key: | SMNTXHKWMQLEIG-UHFFFAOYSA-N |