N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 4606-5323 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C20 H20 N2 O6 S2 |
| Smiles: | COc1cc(/C=C/C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8758 |
| logD: | 2.8756 |
| logSw: | -3.6186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.604 |
| InChI Key: | CBBKDRDBHWHORZ-UHFFFAOYSA-N |