4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-furoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-furoate
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-furoate
Compound characteristics
| Compound ID: | C726-1349 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-furoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccco2)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 3.9 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.66 |
| InChI Key: | DOVFBNPKWNSHFV-UHFFFAOYSA-N |