N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]propanamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F938-0185 |
| Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]propanamide |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C19 H19 Br N4 O S |
| Smiles: | CCC(Nc1ccccc1Sc1nc(nn1Cc1ccc(C)cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2854 |
| logD: | 4.2854 |
| logSw: | -4.1728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.486 |
| InChI Key: | DIMCMADXIQCAFO-UHFFFAOYSA-N |