3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4300-0326 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C26 H28 F3 N O5 |
| Smiles: | CCC1CCCCN1Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(c(c1)OC)OC)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9405 |
| logD: | 3.7597 |
| logSw: | -4.4432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.315 |
| InChI Key: | BFGIHWNLHQPMKH-INIZCTEOSA-N |