ethyl 3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
ethyl 3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
ethyl 3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C726-3139 |
| Compound Name: | ethyl 3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCOC(c1cccc(c1)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCC(C)CC3)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8 |
| logD: | 5.63 |
| logSw: | -6.57 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.92 |
| InChI Key: | NDGYJQWBWGQFNP-UHFFFAOYSA-N |