2-(2-methyl-3-nitrophenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-methyl-3-nitrophenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-methyl-3-nitrophenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1570 |
| Compound Name: | 2-(2-methyl-3-nitrophenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 353.29 |
| Molecular Formula: | C17 H11 N3 O6 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C1=NC(=C\c2ccccc2[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.2812 |
| logD: | 3.2812 |
| logSw: | -4.0113 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.537 |
| InChI Key: | VYAAVLRDNWAUBT-UHFFFAOYSA-N |