3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | C301-0512 |
| Compound Name: | 3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 307.35 |
| Molecular Formula: | C19 H17 N O3 |
| Smiles: | Cc1ccc(C)c(c1)C(/C=C1/C(=O)Oc2ccc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2414 |
| logD: | 4.2414 |
| logSw: | -4.3305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | HEMOAOAWLJWNAT-UHFFFAOYSA-N |