3-{[2-(4-chlorophenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(4-chlorophenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-{[2-(4-chlorophenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0879 |
| Compound Name: | 3-{[2-(4-chlorophenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 382.8 |
| Molecular Formula: | C20 H15 Cl N2 O4 |
| Smiles: | C(CNC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4042 |
| logD: | 2.4041 |
| logSw: | -3.4175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.328 |
| InChI Key: | VMBDSNGZUXPMAA-UHFFFAOYSA-N |