2-(4-butylphenyl)-4-[(3-chloro-4-methylanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(3-chloro-4-methylanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(3-chloro-4-methylanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0388 |
| Compound Name: | 2-(4-butylphenyl)-4-[(3-chloro-4-methylanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 368.86 |
| Molecular Formula: | C21 H21 Cl N2 O2 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/Nc2ccc(C)c(c2)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.2808 |
| logD: | 6.2787 |
| logSw: | -6.1829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.977 |
| InChI Key: | BJVHQGGJRBOPDZ-UHFFFAOYSA-N |