4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 2-fluorobenzoate
4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C726-0536 |
| Compound Name: | 4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 2-fluorobenzoate |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C23 H18 F N5 O3 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2F)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 4.62 |
| logSw: | -5.97 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.06 |
| InChI Key: | BBZLZDUVVJTRHO-UHFFFAOYSA-N |