methyl 2-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 2-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
methyl 2-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | 3948-0540 |
| Compound Name: | methyl 2-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C19 H11 F3 N4 O4 S |
| Smiles: | COC(c1ccccc1c1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | -0.28 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.83 |
| InChI Key: | QRUNRLHFOGFCSZ-UHFFFAOYSA-N |