methyl 4-(5-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
methyl 4-(5-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 3773-0296 |
| Compound Name: | methyl 4-(5-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)C(=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 2.98 |
| logSw: | -5.76 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.78 |
| InChI Key: | GWHBGVIJGJPSFT-UHFFFAOYSA-N |