N-tert-butyl-4-[6-ethyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[6-ethyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[6-ethyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-0670 |
| Compound Name: | N-tert-butyl-4-[6-ethyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C25 H35 N7 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2c(C)nn(c3ccc(C)cc3)c2n1)N1CCCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7869 |
| logD: | 4.4115 |
| logSw: | -4.7074 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.991 |
| InChI Key: | LSKAKEJZIKTQJB-UHFFFAOYSA-N |