3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5318 |
| Compound Name: | 3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cn(CCOc3ccc(cc3)C(C)(C)C)c3ccccc23)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.75 |
| logD: | 4.39 |
| logSw: | -7.39 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.67 |
| InChI Key: | NYPAUIOMFUYQNJ-UHFFFAOYSA-N |