2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 5174-3032 |
| Compound Name: | 2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | CCOc1ccc(\C=C(/C#N)C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.047 |
| logD: | 2.9575 |
| logSw: | -3.5858 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.737 |
| InChI Key: | VWAAHKQYCWAQHV-UHFFFAOYSA-N |