7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-[2-(propan-2-yl)phenoxy]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-[2-(propan-2-yl)phenoxy]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-[2-(propan-2-yl)phenoxy]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5694-1429 |
| Compound Name: | 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-[2-(propan-2-yl)phenoxy]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C25 H27 F3 N2 O4 |
| Smiles: | CC(C)c1ccccc1OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4915 |
| logD: | 3.6926 |
| logSw: | -4.1729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.143 |
| InChI Key: | QZDLONAMQBKGMT-UHFFFAOYSA-N |