4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0059 |
| Compound Name: | 4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C21 H21 Br N2 O5 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc(o1)[Br])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.7713 |
| logD: | 2.7707 |
| logSw: | -3.1802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.884 |
| InChI Key: | MXQBXQARJHOIHR-UHFFFAOYSA-N |