4-[(4-butylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-butylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K091-0154 |
Compound Name: | 4-[(4-butylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 365.39 |
Molecular Formula: | C20 H19 N3 O4 |
Smiles: | CCCCc1ccc(cc1)N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
Stereo: | ACHIRAL |
logP: | 4.9369 |
logD: | 4.9368 |
logSw: | -4.6752 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.358 |
InChI Key: | QLLMVHKRQGTRLQ-UHFFFAOYSA-N |