methyl 4-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | 4011-0266 |
| Compound Name: | methyl 4-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 486.51 |
| Molecular Formula: | C25 H18 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.33 |
| logD: | 3.09 |
| logSw: | -6.09 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.11 |
| InChI Key: | ZTGMLLVCHVAIBL-UHFFFAOYSA-N |