3-{[2-(azepan-1-yl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione
3-{[2-(azepan-1-yl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0490 |
| Compound Name: | 3-{[2-(azepan-1-yl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 298.38 |
| Molecular Formula: | C18 H22 N2 O2 |
| Smiles: | C1CCCN(CC1)CCNC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4883 |
| logD: | 0.9704 |
| logSw: | -2.7431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.372 |
| InChI Key: | LGTZMSWHEPNXPC-UHFFFAOYSA-N |