(4-tert-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-tert-butylphenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-tert-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: | V030-5133 |
| Compound Name: | (4-tert-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: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 8.119 |
| logD: | 7.4285 |
| logSw: | -6.0279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.673 |
| InChI Key: | UJPBJUQEBUCSHU-UHFFFAOYSA-N |