3-[2-(4-bromophenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-bromophenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6032 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethylidene]-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 358.19 |
| Molecular Formula: | C17 H12 Br N O3 |
| Smiles: | Cc1ccc2c(c1)NC(=C\C(c1ccc(cc1)[Br])=O)\C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.171 |
| logD: | 4.1709 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | AKOBLMWLPLKJOB-UHFFFAOYSA-N |