2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | E960-1166 |
| Compound Name: | 2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(=Nc2c(C)n1)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.091 |
| logD: | 3.091 |
| logSw: | -3.2811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | ATNJBGCVUSNCGM-UHFFFAOYSA-N |