3-(3,4-dimethoxyphenyl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | G786-1617 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | COc1ccc(/C=C/C(Nc2nc3ccc(cc3s2)S(N2CCCC2)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2321 |
| logD: | 4.2319 |
| logSw: | -4.2959 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.215 |
| InChI Key: | QJOYZLYZBUSHIX-UXBLZVDNSA-N |