6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | C301-0681 |
| Compound Name: | 6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | Cc1ccc(cc1)C(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1764 |
| logD: | 4.1669 |
| logSw: | -4.4799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | DRKXWTOJRDHAIT-UHFFFAOYSA-N |