4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-fluorobenzoate
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C726-1351 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 2-fluorobenzoate |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C24 H20 F N5 O3 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2F)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 4.93 |
| logSw: | -6.51 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 175.13 |
| InChI Key: | VYMPZSPFYYLUEM-UHFFFAOYSA-N |