3-[2-(4-bromophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-bromophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5340-0941 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 344.16 |
| Molecular Formula: | C16 H10 Br N O3 |
| Smiles: | C(=C1/C(=O)Oc2ccccc2N1)/C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0872 |
| logD: | 4.087 |
| logSw: | -4.6551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | FTIXRAOPJQQYIK-UHFFFAOYSA-N |