2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
Compound characteristics
| Compound ID: | C095-0088 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C21 H23 Br N6 O3 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6757 |
| logD: | 4.6754 |
| logSw: | -4.3929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.654 |
| InChI Key: | LMTWZZVJQFXGOC-UHFFFAOYSA-N |