N-(2-cyano-4,5-diethoxyphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-cyano-4,5-diethoxyphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(2-cyano-4,5-diethoxyphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 8014-1199 |
| Compound Name: | N-(2-cyano-4,5-diethoxyphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C23 H23 N5 O5 |
| Smiles: | CCOc1cc(C#N)c(cc1OCC)NC(c1ccc(Cn2c(C)cc(n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2337 |
| logD: | 1.7387 |
| logSw: | -2.9912 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.882 |
| InChI Key: | MLFOKFIPXIMMQH-UHFFFAOYSA-N |