N-(3-fluorophenyl)-5-[({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-[({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-[({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0951 |
| Compound Name: | N-(3-fluorophenyl)-5-[({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C21 H21 F N6 O2 S2 |
| Smiles: | C1CN(CCN1C(CSCc1nnc(C(Nc2cccc(c2)F)=O)s1)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.2071 |
| logD: | 3.195 |
| logSw: | -3.4275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.221 |
| InChI Key: | AOHUNYYWRSZNKQ-UHFFFAOYSA-N |