(4-ethylphenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-ethylphenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-ethylphenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V010-8988 |
| Compound Name: | (4-ethylphenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C31 H37 F N6 O |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6089 |
| logD: | 5.9506 |
| logSw: | -5.9428 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | QWJBDGUPCREDOZ-UHFFFAOYSA-N |