8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5596-0074 |
| Compound Name: | 8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C25 H28 F3 N O6 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(CCOC)CCOC)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.5594 |
| logD: | 4.3616 |
| logSw: | -4.2217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.472 |
| InChI Key: | MAYGRIBVTYGAAV-UHFFFAOYSA-N |