methyl 2-(5-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
methyl 2-(5-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
methyl 2-(5-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 4277-0183 |
| Compound Name: | methyl 2-(5-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c3ccccc3C(=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 2.85 |
| logSw: | -5.71 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.37 |
| InChI Key: | CGLWDUHSFRPKRP-UHFFFAOYSA-N |