4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl benzoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl benzoate
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl benzoate
Compound characteristics
| Compound ID: | C726-1339 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl benzoate |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C24 H21 N5 O3 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 4.67 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.53 |
| InChI Key: | YRDFSOZTEGEWRN-UHFFFAOYSA-N |