6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-{[3-(pyridin-3-yl)piperidin-1-yl]methyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-{[3-(pyridin-3-yl)piperidin-1-yl]methyl}-4H-1-benzopyran-4-one
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-{[3-(pyridin-3-yl)piperidin-1-yl]methyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y040-3323 |
| Compound Name: | 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-{[3-(pyridin-3-yl)piperidin-1-yl]methyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCc1cc2C(C(=COc2c(CN2CCCC(C2)c2cccnc2)c1O)c1nc(C)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2895 |
| logD: | 3.5825 |
| logSw: | -3.9006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.748 |
| InChI Key: | MPNBYOPYBMAXEQ-IBGZPJMESA-N |