ethyl 4-[2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | C200-4184 |
| Compound Name: | ethyl 4-[2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-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(Cc3ccc(C)cc3)C(=N2)SCC(Nc2ccc(cc2)C(=O)OCC)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1794 |
| logD: | 4.1793 |
| logSw: | -3.9276 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.813 |
| InChI Key: | LQQNJHYZPMRANC-UHFFFAOYSA-N |