2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-hydroxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-hydroxyphenyl)acrylamide
2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-hydroxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 8015-6430 |
| Compound Name: | 2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-hydroxyphenyl)acrylamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCOc1ccc(Cc2nnc(NC(C(=C/c3ccc(cc3)O)\C#N)=O)s2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.75 |
| logD: | 2.45 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 187.8 |
| InChI Key: | FTPYTHSPLFBIRR-UHFFFAOYSA-N |