N-ethyl-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-ethyl-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
N-ethyl-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V011-3222 |
| Compound Name: | N-ethyl-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C28 H32 F N7 O |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8658 |
| logD: | 4.7641 |
| logSw: | -4.793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.521 |
| InChI Key: | UISYSSNQFBBQOJ-UHFFFAOYSA-N |