4-{[(4-butoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-{[(4-butoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
4-{[(4-butoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 5408-2242 |
| Compound Name: | 4-{[(4-butoxybenzoyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CCCCOc1ccc(cc1)C(=O)O/N=C1/C=C(C(C)C)C(C=C1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4026 |
| logD: | 5.4026 |
| logSw: | -5.3012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.419 |
| InChI Key: | IUZYDWFNJRPOBK-UHFFFAOYSA-N |