N-butyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-butyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V010-9010 |
| Compound Name: | N-butyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H38 F N7 O |
| Salt: | not_available |
| Smiles: | CCCCNC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9616 |
| logD: | 5.3033 |
| logSw: | -5.7052 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.009 |
| InChI Key: | YVVBLGMWNNBMAV-UHFFFAOYSA-N |