3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | E960-1135 |
| Compound Name: | 3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCc1cc(C=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3345 |
| logD: | 3.3345 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.343 |
| InChI Key: | XZKZJJPXZXMMRU-UHFFFAOYSA-N |