2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
Compound characteristics
| Compound ID: | 4277-0003 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C16 H16 N4 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.09 |
| logD: | 2.16 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.26 |
| InChI Key: | NVFFHQMLMUHOAV-UHFFFAOYSA-N |