(4-methyl-3-nitrophenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-methyl-3-nitrophenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
(4-methyl-3-nitrophenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V019-4660 |
| Compound Name: | (4-methyl-3-nitrophenyl)[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 513.6 |
| Molecular Formula: | C28 H31 N7 O3 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0774 |
| logD: | 4.6336 |
| logSw: | -5.0717 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.833 |
| InChI Key: | PSPFRJHJNVIJFR-UHFFFAOYSA-N |