(4-butoxyphenyl){4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-butoxyphenyl){4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-butoxyphenyl){4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V012-6798 |
| Compound Name: | (4-butoxyphenyl){4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 540.71 |
| Molecular Formula: | C32 H40 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(C(C)CCC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2715 |
| logD: | 7.1599 |
| logSw: | -5.7939 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.827 |
| InChI Key: | VRHPAWKEACXNQM-DEOSSOPVSA-N |