8-{[bis(2-methylpropyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[bis(2-methylpropyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5848-4124 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C27 H32 F3 N O4 |
| Smiles: | CCc1ccc(cc1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(CC(C)C)CC(C)C)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 7.3378 |
| logD: | 6.2236 |
| logSw: | -5.5451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.831 |
| InChI Key: | AMHHFPDVISQPMS-UHFFFAOYSA-N |