N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | F938-0074 |
| Compound Name: | N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C23 H18 Cl F N4 O2 S |
| Smiles: | COc1cccc(c1)C(Nc1ccccc1Sc1nc(nn1Cc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1462 |
| logD: | 5.1462 |
| logSw: | -5.6257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.006 |
| InChI Key: | OCBWSBJEWBRTSJ-UHFFFAOYSA-N |