3-({[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
3-({[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | E960-0880 |
| Compound Name: | 3-({[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(=Nc2c(C)n1)SCc1cc(C=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5624 |
| logD: | 3.5624 |
| logSw: | -3.7687 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.206 |
| InChI Key: | IELGZDULCALUPV-UHFFFAOYSA-N |