methyl 4-(5-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoate
methyl 4-(5-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 4272-0068 |
| Compound Name: | methyl 4-(5-{3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.54 |
| logD: | 4.22 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.71 |
| InChI Key: | NKTABOCHXABWGR-UHFFFAOYSA-N |