ethyl 4-(5-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
ethyl 4-(5-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 3773-2611 |
| Compound Name: | ethyl 4-(5-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3)C(=O)OCC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.57 |
| logD: | 3.62 |
| logSw: | -6.03 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.15 |
| InChI Key: | BSUPCWRIYVXYQI-UHFFFAOYSA-N |