2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
Compound characteristics
| Compound ID: | C095-0344 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide |
| Molecular Weight: | 516.4 |
| Molecular Formula: | C22 H26 Br N7 O3 |
| Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8386 |
| logD: | 3.1511 |
| logSw: | -3.9327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.191 |
| InChI Key: | QKHVZQIRJQHXFI-UHFFFAOYSA-N |