(2,4-dichlorophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2,4-dichlorophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2,4-dichlorophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V031-0297 |
| Compound Name: | (2,4-dichlorophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 537.49 |
| Molecular Formula: | C28 H30 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2504 |
| logD: | 5.7316 |
| logSw: | -6.0857 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | JWANZDIAFSYFBW-UHFFFAOYSA-N |