3-(2-bromo-4-methylanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-bromo-4-methylanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-(2-bromo-4-methylanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0940 |
| Compound Name: | 3-(2-bromo-4-methylanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 413.23 |
| Molecular Formula: | C19 H13 Br N2 O4 |
| Smiles: | Cc1ccc(c(c1)[Br])NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2453 |
| logD: | 3.2435 |
| logSw: | -3.2378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.467 |
| InChI Key: | MNTFPHVBOSRMRK-UHFFFAOYSA-N |