3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0280 |
| Compound Name: | 3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2529 |
| logD: | 3.2529 |
| logSw: | -3.7804 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.488 |
| InChI Key: | PNTPWRGMLVRWJI-UHFFFAOYSA-N |