1-amino-2-(4,4-dimethyl-3-oxopent-1-yn-1-yl)anthracene-9,10-dione
Chemical Structure Depiction of
1-amino-2-(4,4-dimethyl-3-oxopent-1-yn-1-yl)anthracene-9,10-dione
1-amino-2-(4,4-dimethyl-3-oxopent-1-yn-1-yl)anthracene-9,10-dione
Compound characteristics
| Compound ID: | 8015-8932 |
| Compound Name: | 1-amino-2-(4,4-dimethyl-3-oxopent-1-yn-1-yl)anthracene-9,10-dione |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C21 H17 N O3 |
| Smiles: | CC(C)(C)C(C#Cc1ccc2C(c3ccccc3C(c2c1N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0391 |
| logD: | 5.0391 |
| logSw: | -5.0411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.813 |
| InChI Key: | ZXQAYVWEYFIIMK-UHFFFAOYSA-N |