1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-2933 |
| Compound Name: | 1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C24 H21 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7891 |
| logD: | 4.7891 |
| logSw: | -4.9699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.986 |
| InChI Key: | RGLUVZZRJHMXIF-UHFFFAOYSA-N |