6-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | C301-1015 |
| Compound Name: | 6-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | Cc1ccc(C(\C=C2/C(=O)Oc3ccc(cc3N2)[Cl])=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.782 |
| logD: | 4.7802 |
| logSw: | -4.7811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | NQFBSEFHVKLEKA-UHFFFAOYSA-N |