2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E960-1361 |
| Compound Name: | 2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C21 H20 F N5 O2 S2 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCC(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0635 |
| logD: | 3.0634 |
| logSw: | -3.2229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.606 |
| InChI Key: | XVAJACFNIWJYON-UHFFFAOYSA-N |