6-methyl-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-methyl-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
6-methyl-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-4240 |
| Compound Name: | 6-methyl-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H23 N3 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)C(C=C(C(N1CCN(CCc3ccncc3)CC1)=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0607 |
| logD: | 2.0444 |
| logSw: | -2.5728 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.652 |
| InChI Key: | XBPUZUGYJCMQAJ-UHFFFAOYSA-N |