2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)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-phenyl-N-(prop-2-en-1-yl)acetamide
2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | K781-0541 |
| Compound Name: | 2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C26 H21 N5 O2 S |
| Smiles: | C=CCN(C(CSC1=Nc2c(cn[nH]2)C(N1c1cccc2ccccc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3826 |
| logD: | 4.3774 |
| logSw: | -4.4718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.199 |
| InChI Key: | UFXZAYHIPPOESX-UHFFFAOYSA-N |