N-tert-butyl-4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-7561 |
| Compound Name: | N-tert-butyl-4-[1-(4-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 455.99 |
| Molecular Formula: | C23 H30 Cl N7 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C)nc2n(c2ccc(cc2)[Cl])n1)N1CCCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4421 |
| logD: | 4.1227 |
| logSw: | -4.5984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.613 |
| InChI Key: | VZIBIBRZEOXXRF-UHFFFAOYSA-N |