1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
Chemical Structure Depiction of
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
Compound characteristics
| Compound ID: | V030-5148 |
| Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one |
| Molecular Weight: | 581.25 |
| Molecular Formula: | C33 H49 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCCCCCCCCCCC(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 10.0316 |
| logD: | 9.9085 |
| logSw: | -6.3498 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.144 |
| InChI Key: | YJMVJNPTYBGBAI-UHFFFAOYSA-N |