3-{[2-(azepan-1-yl)ethyl]amino}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)ethyl]amino}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-{[2-(azepan-1-yl)ethyl]amino}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0188 |
| Compound Name: | 3-{[2-(azepan-1-yl)ethyl]amino}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 332.83 |
| Molecular Formula: | C18 H21 Cl N2 O2 |
| Smiles: | C1CCCN(CC1)CCNC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1881 |
| logD: | 1.6702 |
| logSw: | -3.8385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.372 |
| InChI Key: | XVXVNZBQPIUIDR-UHFFFAOYSA-N |