6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-6492 |
| Compound Name: | 6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 477.74 |
| Molecular Formula: | C21 H18 Br Cl N2 O4 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(=O)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2016 |
| logD: | 4.2016 |
| logSw: | -4.594 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.383 |
| InChI Key: | ZBGJWJZCZKAOBD-UHFFFAOYSA-N |