3-[(3-methylbutyl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[(3-methylbutyl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-[(3-methylbutyl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0840 |
| Compound Name: | 3-[(3-methylbutyl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 285.38 |
| Molecular Formula: | C18 H23 N O2 |
| Smiles: | CC(C)CCNC1=C(C(C1=O)=O)c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.2828 |
| logD: | 4.2828 |
| logSw: | -4.1311 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.33 |
| InChI Key: | PERZTYHUJBQTQT-UHFFFAOYSA-N |