N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0073 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C19 H23 N5 O5 S |
| Smiles: | COc1ccc(CCNC(CSC2NC(c3cnn(CCO)c3N=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | -0.286 |
| logD: | -0.317 |
| logSw: | -2.2208 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.795 |
| InChI Key: | IUEADQXQFGCGKF-UHFFFAOYSA-N |