4-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
4-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | 4011-0310 |
| Compound Name: | 4-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.63 |
| logD: | 3.72 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.94 |
| InChI Key: | YSMDJETWKAPJBQ-UHFFFAOYSA-N |