methyl 2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
methyl 2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Compound characteristics
| Compound ID: | C798-1397 |
| Compound Name: | methyl 2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate |
| Molecular Weight: | 329.74 |
| Molecular Formula: | C17 H12 Cl N O4 |
| Smiles: | COC(c1ccc2c(c1)NC(/C(=C\c1ccccc1[Cl])O2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9911 |
| logD: | 3.991 |
| logSw: | -4.4229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.981 |
| InChI Key: | PXKYTJOCGBGRRL-UHFFFAOYSA-N |