N-[2,6-di(propan-2-yl)phenyl]-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-[2,6-di(propan-2-yl)phenyl]-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
N-[2,6-di(propan-2-yl)phenyl]-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V009-2126 |
| Compound Name: | N-[2,6-di(propan-2-yl)phenyl]-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 553.75 |
| Molecular Formula: | C33 H43 N7 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1c(cccc1C(C)C)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1558 |
| logD: | 5.712 |
| logSw: | -5.7357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.178 |
| InChI Key: | AMLQLIMWFQSCRA-UHFFFAOYSA-N |