4-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
4-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0089 |
| Compound Name: | 4-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccc(cc3)[Br])=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4431 |
| logD: | 3.4419 |
| logSw: | -3.6213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.834 |
| InChI Key: | KZXMDXZAUVRUNH-UHFFFAOYSA-N |