2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile
Chemical Structure Depiction of
2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile
2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-4114 |
| Compound Name: | 2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C18 H8 N4 O3 |
| Smiles: | C(C(=C1/C(N(c2cc(C#N)c(C#N)cc2O1)O)=O)/c1ccccc1)#N |
| Stereo: | ACHIRAL |
| logP: | 1.6613 |
| logD: | 0.0138 |
| logSw: | -2.5118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.406 |
| InChI Key: | JMEKVURCSODONY-UHFFFAOYSA-N |