6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-3797 |
| Compound Name: | 6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | Cc1ccc(cc1C)N1CCN(CC1)C(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5392 |
| logD: | 4.5392 |
| logSw: | -4.4539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.069 |
| InChI Key: | RTVTYMFHJNJXBE-UHFFFAOYSA-N |