4-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | 3948-0686 |
| Compound Name: | 4-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 480.44 |
| Molecular Formula: | C19 H11 F3 N4 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 0.04 |
| logSw: | -5.28 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.95 |
| InChI Key: | FYICVNNSTHVYRC-UHFFFAOYSA-N |