3-(2-bromo-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-bromo-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(2-bromo-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0376 |
| Compound Name: | 3-(2-bromo-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 342.19 |
| Molecular Formula: | C17 H12 Br N O2 |
| Smiles: | Cc1ccc(c(c1)[Br])NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1826 |
| logD: | 4.1789 |
| logSw: | -4.2451 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.197 |
| InChI Key: | PHHSAVBYGUHCMD-UHFFFAOYSA-N |