7-bromo-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-bromo-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
7-bromo-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-4244 |
| Compound Name: | 7-bromo-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 478.77 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Salt: | HCl |
| Smiles: | C(CN1CCN(CC1)C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5135 |
| logD: | 2.4973 |
| logSw: | -2.7557 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.652 |
| InChI Key: | IONIMAFSLYCBSW-UHFFFAOYSA-N |