(3-bromophenyl)[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(3-bromophenyl)[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
(3-bromophenyl)[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V018-7840 |
| Compound Name: | (3-bromophenyl)[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 547.5 |
| Molecular Formula: | C28 H31 Br N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9673 |
| logD: | 5.4216 |
| logSw: | -5.7118 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | QGPBUSPHPDSSRC-UHFFFAOYSA-N |