N-(2H-1,3-benzodioxol-5-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1179 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C24 H22 F N5 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(=Nc2c(C)n1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1159 |
| logD: | 3.1159 |
| logSw: | -3.2268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.703 |
| InChI Key: | VQIILNBCGYBEOC-UHFFFAOYSA-N |