N-[2-({3-bromo-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]butanamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]butanamide
N-[2-({3-bromo-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | C301-9998 |
| Compound Name: | N-[2-({3-bromo-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]butanamide |
| Molecular Weight: | 449.34 |
| Molecular Formula: | C19 H18 Br F N4 O S |
| Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1Cc1ccc(cc1)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3683 |
| logD: | 4.3683 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.486 |
| InChI Key: | XEBBELIZYKFIJZ-UHFFFAOYSA-N |