3-tert-butyl-5-[2-ethoxy-5-(piperidine-1-sulfonyl)phenyl]-1-methyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
3-tert-butyl-5-[2-ethoxy-5-(piperidine-1-sulfonyl)phenyl]-1-methyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
3-tert-butyl-5-[2-ethoxy-5-(piperidine-1-sulfonyl)phenyl]-1-methyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | 5008-0231 |
| Compound Name: | 3-tert-butyl-5-[2-ethoxy-5-(piperidine-1-sulfonyl)phenyl]-1-methyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Smiles: | CCOc1ccc(cc1C1Nc2c(C(C)(C)C)nn(C)c2C(N=1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4974 |
| logD: | 0.5869 |
| logSw: | -3.0658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.234 |
| InChI Key: | HCKQCYATBZAITO-UHFFFAOYSA-N |