3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | C726-2569 |
| Compound Name: | 3-[5-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.14 |
| logD: | 1.62 |
| logSw: | -6.09 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 216.33 |
| InChI Key: | ZGTSUXIKUOSCDM-UHFFFAOYSA-N |