3-(5-chloro-2-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(5-chloro-2-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(5-chloro-2-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0424 |
| Compound Name: | 3-(5-chloro-2-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | COc1ccc(cc1NC1=C(C(C1=O)=O)c1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.654 |
| logD: | 3.2721 |
| logSw: | -3.8755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.827 |
| InChI Key: | VIDXLZUOPNKBBO-UHFFFAOYSA-N |