6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-3848 |
| Compound Name: | 6-bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 447.71 |
| Molecular Formula: | C20 H16 Br Cl N2 O3 |
| Smiles: | C1CN(CCN1C(C1=Cc2cc(ccc2OC1=O)[Br])=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0462 |
| logD: | 4.0462 |
| logSw: | -4.4639 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.069 |
| InChI Key: | MZGRJKSOKJYOLJ-UHFFFAOYSA-N |