N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C365-0059 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSC2NC(c3cnn(c4ccccc4)c3N=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9613 |
| logD: | 1.8983 |
| logSw: | -2.9518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.025 |
| InChI Key: | PXDPBXLEYXQSKI-UHFFFAOYSA-N |