3-(2-methoxy-5-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-methoxy-5-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(2-methoxy-5-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0912 |
| Compound Name: | 3-(2-methoxy-5-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1cc(C)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6813 |
| logD: | 4.676 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.827 |
| InChI Key: | OBWUPHHQJMHNFR-UHFFFAOYSA-N |