2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | Y500-5900 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C23 H20 Cl N5 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccccc1)=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4878 |
| logD: | 4.4878 |
| logSw: | -4.7685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.344 |
| InChI Key: | INCLYXILDPGFNY-UHFFFAOYSA-N |