methyl 4-[2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E960-1295 |
| Compound Name: | methyl 4-[2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5979 |
| logD: | 2.5978 |
| logSw: | -2.8638 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.51 |
| InChI Key: | BPIDTEZMWNWTHP-UHFFFAOYSA-N |