{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetic acid
Chemical Structure Depiction of
{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetic acid
{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetic acid
Compound characteristics
| Compound ID: | K783-5238 |
| Compound Name: | {6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetic acid |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C21 H20 Cl N O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(O)=O)C(/C(=C/c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0805 |
| logD: | 0.0552 |
| logSw: | -4.7062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.688 |
| InChI Key: | ODNYZSMCMQGROL-UHFFFAOYSA-N |