3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4300-0461 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C24 H25 F3 N2 O4 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2914 |
| logD: | 3.4925 |
| logSw: | -4.0928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.056 |
| InChI Key: | ZVYSKOYVOSUSKU-UHFFFAOYSA-N |