ethyl 4-(5-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
ethyl 4-(5-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 4011-0228 |
| Compound Name: | ethyl 4-(5-{2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.41 |
| logD: | 4.48 |
| logSw: | -7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.68 |
| InChI Key: | GYCQDEARFXPYJD-UHFFFAOYSA-N |