2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0752 |
| Compound Name: | 2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C21 H19 F N6 O S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2cccn2Cc2ccccc2F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.54 |
| logD: | 4.51 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.17 |
| InChI Key: | DXWXLWWXYDGFDX-UHFFFAOYSA-N |