3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-3850 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8812 |
| logD: | 3.8812 |
| logSw: | -3.9998 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.768 |
| InChI Key: | FQBICPWKTQNCNR-UHFFFAOYSA-N |