3-[4-(benzyloxy)-3-methoxyphenyl]-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
3-[4-(benzyloxy)-3-methoxyphenyl]-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 5174-3026 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H22 N2 O5 S2 |
| Smiles: | COc1cc(/C=C/C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5785 |
| logD: | 4.5783 |
| logSw: | -4.7187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.571 |
| InChI Key: | DFKZVICOQWGAEO-UHFFFAOYSA-N |