3-(1-{2-[4-(sec-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-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5312 |
| Compound Name: | 3-(1-{2-[4-(sec-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: | CCC(C)c1ccc(cc1)OCCn1cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.88 |
| logD: | 4.52 |
| logSw: | -7.32 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.42 |
| InChI Key: | OSVVWAHSYKUCNE-IBGZPJMESA-N |