2-(4-butoxyphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0988 |
| Compound Name: | 2-(4-butoxyphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2cc(ccc2C)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6409 |
| logD: | 4.6262 |
| logSw: | -4.4306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.078 |
| InChI Key: | IUHGOQJPJBRPDH-UHFFFAOYSA-N |