N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | 3202-0109 |
| Compound Name: | N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H15 Cl F N3 O S2 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccccc1c1nnc(NC(c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.899 |
| logD: | 5.865 |
| logSw: | -6.1216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.331 |
| InChI Key: | NRYAKOAEGPETDX-UHFFFAOYSA-N |