4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2H-1-benzopyran-2-one
4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4904 |
| Compound Name: | 4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CCC(N3CCN(CC3)c3ccccn3)=O)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6722 |
| logD: | 4.6634 |
| logSw: | -4.4437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.323 |
| InChI Key: | REISPZSZIIFJCA-UHFFFAOYSA-N |