(3-chlorophenyl){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
(3-chlorophenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(3-chlorophenyl){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: | V030-5075 |
| Compound Name: | (3-chlorophenyl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C31 H34 Cl F N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9032 |
| logD: | 6.2128 |
| logSw: | -6.4982 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.673 |
| InChI Key: | XXBBRHLESXERGG-UHFFFAOYSA-N |