3-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
3-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G639-3408 |
| Compound Name: | 3-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C23 H19 N5 O4 |
| Smiles: | C1CN(CCN1C(C1=Cc2ccccc2OC1=O)=O)C(c1cc(c2ccncc2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4711 |
| logD: | 1.4698 |
| logSw: | -1.567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.183 |
| InChI Key: | JKCNKPISASNSOX-UHFFFAOYSA-N |