3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
Compound ID: | 6197-0131 |
Compound Name: | 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
Molecular Weight: | 496.91 |
Molecular Formula: | C24 H24 Cl F3 N2 O4 |
Smiles: | Cc1cc(cc(C)c1[Cl])OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O |
Stereo: | ACHIRAL |
logP: | 5.0392 |
logD: | 4.2403 |
logSw: | -4.6288 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.056 |
InChI Key: | NDDUOPIFEWMXSJ-UHFFFAOYSA-N |