N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C099-0350 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C23 H22 F N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSC2NC(c3cnn(c4ccc(cc4)F)c3N=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1119 |
| logD: | 2.049 |
| logSw: | -3.016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.025 |
| InChI Key: | TWOIUYBGFRCVII-UHFFFAOYSA-N |