N-[(4-chlorophenyl)methyl]-2-({5-[3-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-({5-[3-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(4-chlorophenyl)methyl]-2-({5-[3-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-7156 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-({5-[3-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C20 H22 Cl N5 O S |
| Smiles: | CN(C)c1cccc(c1)c1nnc(n1C)SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8067 |
| logD: | 3.8066 |
| logSw: | -4.3142 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.327 |
| InChI Key: | BCUAIZDFESCNPL-UHFFFAOYSA-N |