N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzene-1-sulfonamide
N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D042-0329 |
| Compound Name: | N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CCCCn1c2c(cc3ccccc3n2)c(NS(c2ccc(C)cc2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6461 |
| logD: | 1.7126 |
| logSw: | -5.1469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.175 |
| InChI Key: | SHHKHLPISAECJZ-UHFFFAOYSA-N |