3-[bis(2-methylpropyl)amino]-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[bis(2-methylpropyl)amino]-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-[bis(2-methylpropyl)amino]-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0106 |
| Compound Name: | 3-[bis(2-methylpropyl)amino]-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.83 |
| Molecular Formula: | C18 H22 Cl N O2 |
| Smiles: | CC(C)CN(CC(C)C)C1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1474 |
| logD: | 5.1474 |
| logSw: | -5.7018 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.9878 |
| InChI Key: | PJEXXAJURXYFOM-UHFFFAOYSA-N |