4-(5-{3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
Chemical Structure Depiction of
4-(5-{3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
4-(5-{3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
Compound characteristics
| Compound ID: | 4272-0012 |
| Compound Name: | 4-(5-{3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.26 |
| logD: | 1.53 |
| logSw: | -5.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 214.89 |
| InChI Key: | KEPOFRNPEVETBR-UHFFFAOYSA-N |