3-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
3-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | L269-0094 |
| Compound Name: | 3-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | C1CN(CCN1Cc1c2ccccc2on1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4892 |
| logD: | 2.4874 |
| logSw: | -2.6934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.043 |
| InChI Key: | OQJKILSHNHQTKJ-UHFFFAOYSA-N |