6-ethoxy-4-{[(4-hydroxyquinazolin-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-{[(4-hydroxyquinazolin-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
6-ethoxy-4-{[(4-hydroxyquinazolin-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J033-0147 |
| Compound Name: | 6-ethoxy-4-{[(4-hydroxyquinazolin-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | CCOc1ccc2c(c1)C(CSc1nc(c3ccccc3n1)O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.7984 |
| logD: | 3.7118 |
| logSw: | -3.8442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.466 |
| InChI Key: | IVVZLZKSGWCDFM-UHFFFAOYSA-N |