N-(4-bromo-2-methylphenyl)-2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-bromo-2-methylphenyl)-2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-5235 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C22 H24 Br N5 O2 S |
| Smiles: | Cc1cc(ccc1NC(CSc1nnc(CN2CCOCC2)n1c1ccccc1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8044 |
| logD: | 2.8042 |
| logSw: | -3.1148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.053 |
| InChI Key: | MVQXVKRSZRUPPY-UHFFFAOYSA-N |