3-(3-bromo-4-{2-[4-(tert-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(3-bromo-4-{2-[4-(tert-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(3-bromo-4-{2-[4-(tert-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5200 |
| Compound Name: | 3-(3-bromo-4-{2-[4-(tert-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 599.55 |
| Molecular Formula: | C28 H31 Br N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccc(cc2)C(C)(C)C)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 7.23 |
| logD: | 5.3 |
| logSw: | -8.16 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.1 |
| InChI Key: | VKLKGBPQFFTUHV-UHFFFAOYSA-N |