3-{[2-(azepan-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-{[2-(azepan-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0952 |
| Compound Name: | 3-{[2-(azepan-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 340.46 |
| Molecular Formula: | C21 H28 N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)NCCN1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9316 |
| logD: | 2.4136 |
| logSw: | -3.8172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.372 |
| InChI Key: | VHLAPUVACQHZOT-UHFFFAOYSA-N |