2-{3-ethoxy-5-iodo-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3-dihydro-4H-1,3-benzoxazin-4-one
Chemical Structure Depiction of
2-{3-ethoxy-5-iodo-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3-dihydro-4H-1,3-benzoxazin-4-one
2-{3-ethoxy-5-iodo-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3-dihydro-4H-1,3-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8017-7160 |
| Compound Name: | 2-{3-ethoxy-5-iodo-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3-dihydro-4H-1,3-benzoxazin-4-one |
| Molecular Weight: | 449.24 |
| Molecular Formula: | C19 H16 I N O4 |
| Smiles: | CCOc1cc(cc(c1OCC#C)I)C1NC(c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9934 |
| logD: | 3.9934 |
| logSw: | -4.2323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.36 |
| InChI Key: | CPVVXWKTZASOIS-IBGZPJMESA-N |