2-(4-butylphenyl)-4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0067 |
| Compound Name: | 2-(4-butylphenyl)-4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 407.85 |
| Molecular Formula: | C23 H18 Cl N O4 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/C2=COc3ccc(cc3C2=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.6164 |
| logD: | 5.6164 |
| logSw: | -5.8219 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.269 |
| InChI Key: | VOMTXVRCBVDTLS-UHFFFAOYSA-N |