N-(4-chlorophenyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-(4-chlorophenyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V030-5135 |
| Compound Name: | N-(4-chlorophenyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 576.12 |
| Molecular Formula: | C31 H35 Cl F N7 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2796 |
| logD: | 6.5891 |
| logSw: | -6.4501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.494 |
| InChI Key: | KBMOSUIZENGBRO-UHFFFAOYSA-N |