N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-3121 |
| Compound Name: | N-[(5-acetamido-2-methoxyphenyl)methyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.61 |
| Molecular Formula: | C27 H27 N5 O4 S |
| Smiles: | CC(Nc1ccc(c(CNC(CSc2nnc(c3cccc(c3)OC)n2c2ccccc2)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7784 |
| logD: | 3.7784 |
| logSw: | -4.039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.62 |
| InChI Key: | HBMGWQJOFXLWOZ-UHFFFAOYSA-N |