2-(4-butylphenyl)-4-[(2,4-dibromoanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(2,4-dibromoanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(2,4-dibromoanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K091-0381 |
Compound Name: | 2-(4-butylphenyl)-4-[(2,4-dibromoanilino)methylidene]-1,3-oxazol-5(4H)-one |
Molecular Weight: | 478.18 |
Molecular Formula: | C20 H18 Br2 N2 O2 |
Smiles: | CCCCc1ccc(cc1)C1=NC(=C/Nc2ccc(cc2[Br])[Br])\C(=O)O1 |
Stereo: | ACHIRAL |
logP: | 6.3129 |
logD: | 6.3008 |
logSw: | -5.4506 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.279 |
InChI Key: | HQPICNSSMYDWQF-UHFFFAOYSA-N |