6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-3849 |
| Compound Name: | 6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6205 |
| logD: | 4.6205 |
| logSw: | -4.5575 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.768 |
| InChI Key: | ISOQOXCFSNUQHM-UHFFFAOYSA-N |