2-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl][1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
Chemical Structure Depiction of
2-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl][1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
2-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl][1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
Compound characteristics
| Compound ID: | 4564-0169 |
| Compound Name: | 2-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl][1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one |
| Molecular Weight: | 363.33 |
| Molecular Formula: | C18 H13 N5 O4 |
| Smiles: | CC1C(N=C2N(CC(c3ccc(cc3)[N+]([O-])=O)=O)c3ccccc3N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0438 |
| logD: | 2.0407 |
| logSw: | -2.5705 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.626 |
| InChI Key: | DYEIMJPCGRSQHV-UHFFFAOYSA-N |