1-{4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one
1-{4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V025-3526 |
| Compound Name: | 1-{4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 440.98 |
| Molecular Formula: | C23 H29 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)[Cl])c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3766 |
| logD: | 4.0571 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.119 |
| InChI Key: | FMPYNOZGPGDJCL-UHFFFAOYSA-N |