2-hydroxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-hydroxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]quinazolin-4(3H)-one
2-hydroxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | IB07-6315 |
| Compound Name: | 2-hydroxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]quinazolin-4(3H)-one |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C19 H23 N3 O4 |
| Smiles: | [H]C12CCCCC2(CCN(C1)C(CN1C(=Nc2ccccc2C1=O)O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.42 |
| logD: | -2.32 |
| logSw: | -2.09 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.78 |
| InChI Key: | ACBIFIKYSKTVKT-UHFFFAOYSA-N |