1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V025-2006 |
| Compound Name: | 1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 378.48 |
| Molecular Formula: | C21 H26 N6 O |
| Salt: | not_available |
| Smiles: | CC(N1CCCN(CC1)c1c2cnn(c3ccc(C)cc3C)c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9765 |
| logD: | 3.8674 |
| logSw: | -3.9528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.461 |
| InChI Key: | AELQTSCBUAEHRW-UHFFFAOYSA-N |