N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenoxy)acetamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | F938-0414 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenoxy)acetamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1)OCC(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8567 |
| logD: | 3.8567 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.272 |
| InChI Key: | OIFOEUQRFTYPRD-UHFFFAOYSA-N |