2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
Compound characteristics
Compound ID: | K788-2015 |
Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide |
Molecular Weight: | 523.46 |
Molecular Formula: | C29 H28 Cl2 N2 O3 |
Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCCc1ccc(cc1)[Cl])=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
Stereo: | ACHIRAL |
logP: | 6.5966 |
logD: | 6.5966 |
logSw: | -6.3593 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.346 |
InChI Key: | VCGXVQWYBCVHDB-UHFFFAOYSA-N |