6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-1-benzopyran-2-one
6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4645 |
| Compound Name: | 6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C25 H29 N3 O5 |
| Smiles: | CC1=C(CC(N2CCN(CCc3ccccn3)CC2)=O)C(=O)Oc2cc(c(cc12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1046 |
| logD: | 2.0658 |
| logSw: | -2.7814 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.604 |
| InChI Key: | FCYUUYHGVAWANV-UHFFFAOYSA-N |