4-(5-{2-cyano-3-[(5-heptyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoic acid
Chemical Structure Depiction of
4-(5-{2-cyano-3-[(5-heptyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoic acid
4-(5-{2-cyano-3-[(5-heptyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoic acid
Compound characteristics
| Compound ID: | 3773-0916 |
| Compound Name: | 4-(5-{2-cyano-3-[(5-heptyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoic acid |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.8 |
| logD: | 3.07 |
| logSw: | -6.54 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 213.61 |
| InChI Key: | WUTCVASVQYOKIY-UHFFFAOYSA-N |