2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8013-6967 |
| Compound Name: | 2-({5-[(4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C24 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5303 |
| logD: | 4.5303 |
| logSw: | -4.2234 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.442 |
| InChI Key: | WEAAFGYIJZSELA-UHFFFAOYSA-N |