3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5340-0649 |
| Compound Name: | 3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C17 H13 N O3 |
| Smiles: | Cc1ccc(cc1)C(\C=C1/C(=O)Oc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6766 |
| logD: | 3.6765 |
| logSw: | -3.9638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | XVEUDWMWNFFCIS-UHFFFAOYSA-N |