8-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]quinoline
Chemical Structure Depiction of
8-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]quinoline
8-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]quinoline
Compound characteristics
| Compound ID: | V005-5886 |
| Compound Name: | 8-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]quinoline |
| Molecular Weight: | 555.7 |
| Molecular Formula: | C30 H33 N7 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1554 |
| logD: | 4.6096 |
| logSw: | -5.3825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.349 |
| InChI Key: | RQCXBPKQNVCOGN-UHFFFAOYSA-N |