4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0109 |
| Compound Name: | 4-{[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C20 H19 Br N2 O4 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccc(o3)[Br])=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8802 |
| logD: | 2.8791 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.76 |
| InChI Key: | WHFPMJDYNKFUBG-UHFFFAOYSA-N |