4-{[(3-bromo-4-methoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-{[(3-bromo-4-methoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
4-{[(3-bromo-4-methoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 5408-2236 |
| Compound Name: | 4-{[(3-bromo-4-methoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C18 H18 Br N O4 |
| Smiles: | CC(C)C1=C/C(C(C)=CC1=O)=N/OC(c1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4881 |
| logD: | 4.4881 |
| logSw: | -4.4019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.632 |
| InChI Key: | MSMITGQQFCMOAG-UHFFFAOYSA-N |