3-{[2-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-1H-2-benzopyran-1-one
Chemical Structure Depiction of
3-{[2-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-1H-2-benzopyran-1-one
3-{[2-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | Y040-3064 |
| Compound Name: | 3-{[2-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-1H-2-benzopyran-1-one |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C28 H26 N2 O3 |
| Smiles: | C(C1=Cc2ccccc2C(=O)O1)c1ccccc1C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2238 |
| logD: | 4.2084 |
| logSw: | -4.4603 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.805 |
| InChI Key: | PSPOYSSNZVUZFB-UHFFFAOYSA-N |