7-hydroxy-4-methyl-8-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-4-methyl-8-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
7-hydroxy-4-methyl-8-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-3540 |
| Compound Name: | 7-hydroxy-4-methyl-8-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H20 F3 N3 O3 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)O |
| Stereo: | ACHIRAL |
| logP: | 3.7519 |
| logD: | 3.7269 |
| logSw: | -3.6557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.472 |
| InChI Key: | NEKHRHPUDKTOMN-UHFFFAOYSA-N |