2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]acetamide--hydrogen chloride (1/1)
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C066-3660 |
| Compound Name: | 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 587.46 |
| Molecular Formula: | C27 H27 Cl N6 O5 |
| Salt: | HCl |
| Smiles: | Cc1c(c(nn1CC(Nc1ccc2c(c1)c(c1CCCCc1n2)Nc1ccc(c(c1)OC)OC)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6005 |
| logD: | 3.5853 |
| logSw: | -4.8 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.937 |
| InChI Key: | WHPNTWGYNJFGEE-UHFFFAOYSA-N |