4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C726-1834 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C22 H19 N5 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.68 |
| logD: | 3.53 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.72 |
| InChI Key: | QQWQAEWJIKNKOD-UHFFFAOYSA-N |