N-(3-chlorophenyl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D489-0776 |
| Compound Name: | N-(3-chlorophenyl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 463.99 |
| Molecular Formula: | C24 H22 Cl N5 O S |
| Smiles: | CN(C)c1cccc(c1)c1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7354 |
| logD: | 5.7345 |
| logSw: | -5.8732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.667 |
| InChI Key: | BGAWUCUQBOHCQD-UHFFFAOYSA-N |