N-(4-chlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y508-6733 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)[Cl])=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6504 |
| logD: | 4.6503 |
| logSw: | -4.9871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.337 |
| InChI Key: | FIDXGGUUTGMEJL-UHFFFAOYSA-N |