N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | F938-0176 |
| Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C21 H23 Br N4 O S |
| Smiles: | CC(C)CC(Nc1ccccc1Sc1nc(nn1Cc1ccc(C)cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2056 |
| logD: | 5.2056 |
| logSw: | -4.9699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.486 |
| InChI Key: | XBWYADWLVHITQS-UHFFFAOYSA-N |