(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V020-2204 |
| Compound Name: | (2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 552.01 |
| Molecular Formula: | C27 H27 Cl F N7 O3 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3987 |
| logD: | 4.9549 |
| logSw: | -5.9954 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.134 |
| InChI Key: | VUFATGVVHCPZTL-UHFFFAOYSA-N |