3-[2-(3-bromophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(3-bromophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(3-bromophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6012 |
| Compound Name: | 3-[2-(3-bromophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 436.28 |
| Molecular Formula: | C18 H14 Br N O5 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(c1cccc(c1)[Br])=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2699 |
| logD: | 3.2661 |
| logSw: | -3.6073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.431 |
| InChI Key: | QFOWRPOYIYTQCT-UHFFFAOYSA-N |