N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-2014 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C29 H27 Cl N2 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCc1ccc3c(c1)OCO3)=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1403 |
| logD: | 6.1403 |
| logSw: | -6.3095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.62 |
| InChI Key: | JPWSBFZKRVLJCZ-UHFFFAOYSA-N |