2-(2-nitroanilino)-2-oxoethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Chemical Structure Depiction of
2-(2-nitroanilino)-2-oxoethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
2-(2-nitroanilino)-2-oxoethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Compound characteristics
| Compound ID: | 8006-4141 |
| Compound Name: | 2-(2-nitroanilino)-2-oxoethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C18 H20 N4 O7 |
| Smiles: | CC1=C(C(CCCCC(=O)OCC(Nc2ccccc2[N+]([O-])=O)=O)=O)NC(N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1505 |
| logD: | -1.9446 |
| logSw: | -2.2684 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.54 |
| InChI Key: | AVCWXMLWMICDGF-UHFFFAOYSA-N |