6-bromo-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
6-bromo-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 6353-0211 |
| Compound Name: | 6-bromo-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.22 |
| Molecular Formula: | C16 H17 Br N2 O4 |
| Smiles: | C1CN(CCN1CCO)C(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1871 |
| logD: | 1.1542 |
| logSw: | -2.041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.254 |
| InChI Key: | CSVYFRXAKJHISW-UHFFFAOYSA-N |