(4-butylphenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-butylphenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
(4-butylphenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V008-2814 |
| Compound Name: | (4-butylphenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C31 H38 N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(CCC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7825 |
| logD: | 6.3387 |
| logSw: | -6.0244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | YAJUINYCBKRHML-UHFFFAOYSA-N |