3-(5-bromo-2-{2-[4-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-{2-[4-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(5-bromo-2-{2-[4-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-1068 |
| Compound Name: | 3-(5-bromo-2-{2-[4-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 569.52 |
| Molecular Formula: | C27 H29 Br N4 O3 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cc(ccc2OCCOc2ccc(cc2)C(C)CC)[Br])\C#N)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.09 |
| logD: | 6.46 |
| logSw: | -8.05 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.2 |
| InChI Key: | RCRZXIGJYBHDGL-SFHVURJKSA-N |