4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0045 |
| Compound Name: | 4-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 471.35 |
| Molecular Formula: | C23 H23 Br N2 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccccc1[Br])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.9681 |
| logD: | 2.9674 |
| logSw: | -3.4419 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.958 |
| InChI Key: | UIIYKBHSKMJBKB-UHFFFAOYSA-N |