3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3057-1783 |
| Compound Name: | 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C26 H29 F3 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.3032 |
| logD: | 4.5043 |
| logSw: | -5.1282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.056 |
| InChI Key: | JIGGCYGJVLLBDQ-UHFFFAOYSA-N |