3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2226 |
| Compound Name: | 3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C23 H20 Cl N5 O3 S |
| Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 4.47 |
| logSw: | -5.41 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.04 |
| InChI Key: | IEHSAXTVTAPPOL-UHFFFAOYSA-N |