4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | D222-0162 |
Compound Name: | 4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one |
Molecular Weight: | 398.41 |
Molecular Formula: | C22 H20 F2 N2 O3 |
Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3c(cccc3F)F)=O)=CC(=O)Oc2c1 |
Stereo: | ACHIRAL |
logP: | 2.8547 |
logD: | 2.8535 |
logSw: | -3.2889 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 40.834 |
InChI Key: | WZJUAWABQSBNLM-UHFFFAOYSA-N |