6-chloro-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6054 |
| Compound Name: | 6-chloro-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 329.74 |
| Molecular Formula: | C17 H12 Cl N O4 |
| Smiles: | COc1cccc(c1)C(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8892 |
| logD: | 3.8797 |
| logSw: | -4.3651 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.938 |
| InChI Key: | DOMJKRAQRSCUSH-UHFFFAOYSA-N |