1-tert-butyl-5-[(4-nitrophenyl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-tert-butyl-5-[(4-nitrophenyl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-tert-butyl-5-[(4-nitrophenyl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C801-0660 |
| Compound Name: | 1-tert-butyl-5-[(4-nitrophenyl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C16 H17 N5 O3 |
| Smiles: | CC(C)(C)n1c2c(cn1)C(N(Cc1ccc(cc1)[N+]([O-])=O)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3591 |
| logD: | 2.3591 |
| logSw: | -2.7236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.638 |
| InChI Key: | SLJOQSZJLJLTRU-UHFFFAOYSA-N |