3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0187 |
| Compound Name: | 3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 368.86 |
| Molecular Formula: | C21 H21 Cl N2 O2 |
| Smiles: | CN(CCCNC1=C(C(C1=O)=O)c1ccc(cc1)[Cl])Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4041 |
| logD: | 1.9193 |
| logSw: | -4.0459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.152 |
| InChI Key: | PMWUSHFNCIOZTK-UHFFFAOYSA-N |