N-(4-acetamidophenyl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(4-acetamidophenyl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-1217 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C20 H19 N5 O4 |
| Smiles: | CC(Nc1ccc(cc1)NC(c1ccccc1Cn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1176 |
| logD: | 2.1173 |
| logSw: | -3.1371 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.366 |
| InChI Key: | SMMXCBAMPKAYJL-UHFFFAOYSA-N |