N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | C301-9251 |
| Compound Name: | N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 463.37 |
| Molecular Formula: | C20 H20 Br F N4 O S |
| Smiles: | CC(C)CC(Nc1ccccc1Sc1nnc(n1Cc1ccc(cc1)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7057 |
| logD: | 4.7057 |
| logSw: | -4.2573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.292 |
| InChI Key: | KGEBEOSWCVCPFN-UHFFFAOYSA-N |