3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-2-benzopyran-1-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-2-benzopyran-1-one
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | K953-0054 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)-1H-2-benzopyran-1-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C29 H28 N2 O3 |
| Smiles: | Cc1ccc(cc1)C1=C(C(N2CCN(CC2)c2cc(C)ccc2C)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7531 |
| logD: | 5.7531 |
| logSw: | -5.5767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.576 |
| InChI Key: | NGKKVPYPYSWZDF-UHFFFAOYSA-N |