(4-chlorophenyl)[4-(6-ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-chlorophenyl)[4-(6-ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
(4-chlorophenyl)[4-(6-ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V024-5532 |
| Compound Name: | (4-chlorophenyl)[4-(6-ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C26 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8101 |
| logD: | 4.4347 |
| logSw: | -4.975 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | IOBJFTUSMQHUPW-UHFFFAOYSA-N |