2-({5-[(3-chloro-4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloro-4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(3-chloro-4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D178-0143 |
| Compound Name: | 2-({5-[(3-chloro-4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | COc1ccc(Cc2nnc(n2c2ccccc2)SCC(N)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5367 |
| logD: | 2.5367 |
| logSw: | -3.1107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.979 |
| InChI Key: | CCTGUZQJCCUDPQ-UHFFFAOYSA-N |