3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-1017 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C26 H27 N3 O7 |
| Smiles: | COc1ccc(CN2CCN(CC2)C2=C(C(C2=O)=O)c2ccc3c(c2)OCC(N3)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.191 |
| logD: | 2.0939 |
| logSw: | -3.1253 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.029 |
| InChI Key: | SPIRJTNCKKCHMY-UHFFFAOYSA-N |