6-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6061 |
| Compound Name: | 6-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 359.76 |
| Molecular Formula: | C18 H14 Cl N O5 |
| Smiles: | COc1ccc(cc1OC)C(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4512 |
| logD: | 3.4417 |
| logSw: | -3.8935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.655 |
| InChI Key: | VJCAJCNHNUGXLD-UHFFFAOYSA-N |