[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-chloro-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-chloro-3-nitrophenyl)methanone
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-chloro-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V012-3772 |
| Compound Name: | [4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-chloro-3-nitrophenyl)methanone |
| Molecular Weight: | 548.04 |
| Molecular Formula: | C28 H30 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3336 |
| logD: | 4.7878 |
| logSw: | -5.9413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.833 |
| InChI Key: | ULCFDFHWFJPPRG-UHFFFAOYSA-N |