2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-0182 |
| Compound Name: | 2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C25 H24 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NCc1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1978 |
| logD: | 5.1978 |
| logSw: | -5.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.19 |
| InChI Key: | XICUVMAGMISQMZ-UHFFFAOYSA-N |