4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0136 |
| Compound Name: | 4-{[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C22 H20 F2 N2 O4 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(c1c(cccc1F)F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.3583 |
| logD: | 2.3577 |
| logSw: | -3.0742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.378 |
| InChI Key: | JRWLIMXPBXCFOV-UHFFFAOYSA-N |