N-[(4-chlorophenyl)methyl]-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(4-chlorophenyl)methyl]-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y202-9850 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.92 |
| Molecular Formula: | C18 H20 Cl N7 O3 S |
| Smiles: | CCn1c(CCn2cc(cn2)[N+]([O-])=O)nnc1SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0848 |
| logD: | 2.0845 |
| logSw: | -2.9605 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.55 |
| InChI Key: | AQGSKILOUIYHSI-UHFFFAOYSA-N |