(4-butylphenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-butylphenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-butylphenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V030-5118 |
| Compound Name: | (4-butylphenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 559.16 |
| Molecular Formula: | C32 H39 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.4576 |
| logD: | 8.3345 |
| logSw: | -6.4902 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.4 |
| InChI Key: | LWTYOMUEYRPTTF-UHFFFAOYSA-N |