4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide
4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V006-3021 |
| Compound Name: | 4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 561.69 |
| Molecular Formula: | C33 H35 N7 O2 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0343 |
| logD: | 5.9325 |
| logSw: | -5.7015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.426 |
| InChI Key: | XTUCOTXHSOBMIY-UHFFFAOYSA-N |