N-tert-butyl-4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9951 |
| Compound Name: | N-tert-butyl-4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 486.02 |
| Molecular Formula: | C24 H32 Cl N7 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(COC)nc2n(c2cccc(c2)[Cl])n1)N1CCCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2263 |
| logD: | 3.9869 |
| logSw: | -4.538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.415 |
| InChI Key: | AQVAPDUFKXEQTQ-UHFFFAOYSA-N |