4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C726-2979 |
| Compound Name: | 4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccco2)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 4.23 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.82 |
| InChI Key: | DRJVRDMDYBRZGU-UHFFFAOYSA-N |