N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-3119 |
| Compound Name: | N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C21 H22 N6 O5 S |
| Smiles: | CC(Nc1ccc(c(CNC(CSc2nnc(c3cccc(c3)[N+]([O-])=O)n2C)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.211 |
| logD: | 2.211 |
| logSw: | -2.9013 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.796 |
| InChI Key: | ZVJNVLNZWAKQFA-UHFFFAOYSA-N |