3-[({6-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
3-[({6-[(4-chlorophenyl)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: | E960-0981 |
| Compound Name: | 3-[({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c(C)n1)SCc1cc(C=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.058 |
| logD: | 4.058 |
| logSw: | -4.6897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.228 |
| InChI Key: | INRKZSMJYVJZAR-UHFFFAOYSA-N |