methyl 3-{[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}-4-methoxybenzoate
methyl 3-{[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-4022 |
| Compound Name: | methyl 3-{[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2cn1)SCc1cc(ccc1OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6418 |
| logD: | 3.6418 |
| logSw: | -3.8171 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.703 |
| InChI Key: | AOFHTRFOYJPDPU-UHFFFAOYSA-N |