4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C726-2978 |
| Compound Name: | 4-(2-cyano-3-{[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C23 H21 N5 O3 S2 |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2cccs2)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.21 |
| logD: | 5.06 |
| logSw: | -6.66 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.87 |
| InChI Key: | GTLFMQVDKSBEGD-UHFFFAOYSA-N |