4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V009-2127 |
| Compound Name: | 4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 553.61 |
| Molecular Formula: | C31 H29 F2 N7 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9773 |
| logD: | 5.875 |
| logSw: | -5.7423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.604 |
| InChI Key: | JJXCXWHCKMGEGC-UHFFFAOYSA-N |