6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-3-propyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-3-propyl-1,3-benzothiazol-2(3H)-one
6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-3-propyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0734 |
| Compound Name: | 6-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-3-propyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CCCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccco1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3015 |
| logD: | 3.3015 |
| logSw: | -3.827 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.45 |
| InChI Key: | PXSSXCHWJSZKGT-UHFFFAOYSA-N |