3-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
3-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D345-0029 |
| Compound Name: | 3-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | C(CN1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.6462 |
| logD: | 1.619 |
| logSw: | -1.7348 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.87 |
| InChI Key: | DTXMNXKKQFTCHP-UHFFFAOYSA-N |