3-(butylamino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(butylamino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(butylamino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0934 |
| Compound Name: | 3-(butylamino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 271.36 |
| Molecular Formula: | C17 H21 N O2 |
| Smiles: | CCCCNC1=C(C(C1=O)=O)c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0689 |
| logD: | 4.0689 |
| logSw: | -3.9965 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.33 |
| InChI Key: | BJNNXMQBDACMAI-UHFFFAOYSA-N |