(4-butylphenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-butylphenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-butylphenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V030-5074 |
| Compound Name: | (4-butylphenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 582.77 |
| Molecular Formula: | C35 H43 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CC2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2937 |
| logD: | 7.6033 |
| logSw: | -6.1537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.673 |
| InChI Key: | HKSBPBFWGIQGCL-UHFFFAOYSA-N |