8-[(diethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(diethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(diethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3230-2858 |
| Compound Name: | 8-[(diethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C22 H22 F3 N O4 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.326 |
| logD: | 3.2802 |
| logSw: | -4.0884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.573 |
| InChI Key: | UVDQHGNTHJYSAP-UHFFFAOYSA-N |