2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K781-0550 |
| Compound Name: | 2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2003 |
| logD: | 5.1982 |
| logSw: | -5.875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.003 |
| InChI Key: | ITEGJDJDEGKHLG-UHFFFAOYSA-N |