4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C726-0204 |
| Compound Name: | 4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C22 H19 N5 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.54 |
| logD: | 4.38 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.67 |
| InChI Key: | RMSNGLFQHJSOFN-UHFFFAOYSA-N |