butyl 4-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
butyl 4-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | K405-3700 |
| Compound Name: | butyl 4-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c2cnn(c3cccc(c3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2893 |
| logD: | 6.2892 |
| logSw: | -6.2113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.075 |
| InChI Key: | KSEBKELQHSMWKJ-UHFFFAOYSA-N |