methyl 5-{[(6-ethyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(6-ethyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(6-ethyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y504-5500 |
| Compound Name: | methyl 5-{[(6-ethyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CCN1C(=Nc2cnn(C)c2C1=O)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.5863 |
| logD: | 1.5863 |
| logSw: | -2.0297 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.91 |
| InChI Key: | BCDMTYGLXHIKCV-UHFFFAOYSA-N |