4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 3-methoxybenzoate
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C726-1343 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 3-methoxybenzoate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | COc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 4.72 |
| logSw: | -6.37 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.13 |
| InChI Key: | HRCHKAYRELDQDN-UHFFFAOYSA-N |