3-[3-(benzyloxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-(benzyloxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-(benzyloxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0112 |
| Compound Name: | 3-[3-(benzyloxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccc(c2)OCc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.48 |
| logD: | 3.55 |
| logSw: | -6.1 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.33 |
| InChI Key: | HZULXGNDZLSAIU-UHFFFAOYSA-N |