3-[({1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-[({1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
3-[({1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | E960-1025 |
| Compound Name: | 3-[({1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)OC)C(=Nc2c(C)n1)SCc1cc(C=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4457 |
| logD: | 3.4457 |
| logSw: | -3.6864 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.771 |
| InChI Key: | XIZZXIHVRJXOOK-UHFFFAOYSA-N |