N-(1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-3-chlorobenzamide
Chemical Structure Depiction of
N-(1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-3-chlorobenzamide
N-(1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-3-chlorobenzamide
Compound characteristics
| Compound ID: | D042-0074 |
| Compound Name: | N-(1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-3-chlorobenzamide |
| Molecular Weight: | 392.89 |
| Molecular Formula: | C22 H21 Cl N4 O |
| Smiles: | CCCCn1c2c(cc3cccc(C)c3n2)c(NC(c2cccc(c2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5995 |
| logD: | 4.1532 |
| logSw: | -6.1522 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.387 |
| InChI Key: | IDWHILMZJKAYCR-UHFFFAOYSA-N |