3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0690 |
| Compound Name: | 3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(cc2)C(C)CC)\C#N)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.83 |
| logD: | 4.9 |
| logSw: | -7.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.9 |
| InChI Key: | HBSJTTDQGFOHQY-IBGZPJMESA-N |