4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0063 |
| Compound Name: | 4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C22 H21 Br N2 O4 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccccc1[Br])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.5806 |
| logD: | 2.5799 |
| logSw: | -3.2772 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.378 |
| InChI Key: | REHWILSAUOFXSF-UHFFFAOYSA-N |