ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1179 |
| Compound Name: | ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C25 H25 F3 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1102 |
| logD: | 3.3112 |
| logSw: | -3.8627 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.81 |
| InChI Key: | NLQXZNUSCUTBCM-UHFFFAOYSA-N |