ethyl 3-[5-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
ethyl 3-[5-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
ethyl 3-[5-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C726-0694 |
| Compound Name: | ethyl 3-[5-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CCOC(c1cccc(c1)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 5 |
| logSw: | -5.81 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.7 |
| InChI Key: | RGNVSJKKHRWHTG-UHFFFAOYSA-N |