4-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
4-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | 4272-0173 |
| Compound Name: | 4-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C25 H18 N4 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.28 |
| logD: | 3.97 |
| logSw: | -6.35 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.44 |
| InChI Key: | CMIHCOAJLAOZFD-UHFFFAOYSA-N |