ethyl 2-(2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-4347 |
| Compound Name: | ethyl 2-(2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 505.6 |
| Molecular Formula: | C26 H27 N5 O4 S |
| Smiles: | CCn1cc2c(C(N(CCc3ccccc3)C(=N2)SCC(Nc2ccccc2C(=O)OCC)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5219 |
| logD: | 3.5136 |
| logSw: | -3.571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.094 |
| InChI Key: | BMKFWQVAUWXWFC-UHFFFAOYSA-N |