3-[2-(4-bromophenyl)-2-oxoethylidene]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethylidene]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-bromophenyl)-2-oxoethylidene]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6056 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethylidene]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 378.61 |
| Molecular Formula: | C16 H9 Br Cl N O3 |
| Smiles: | C(=C1/C(=O)Oc2ccc(cc2N1)[Cl])/C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5869 |
| logD: | 4.5774 |
| logSw: | -4.7488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | CCNFOAIANOOKAX-UHFFFAOYSA-N |