3-(tert-butylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(tert-butylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(tert-butylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0027 |
| Compound Name: | 3-(tert-butylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 263.72 |
| Molecular Formula: | C14 H14 Cl N O2 |
| Smiles: | CC(C)(C)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3234 |
| logD: | 3.323 |
| logSw: | -3.673 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.312 |
| InChI Key: | NCMLQBGBPQQTFX-UHFFFAOYSA-N |