2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]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-[3-(cyclohexylsulfanyl)propyl]acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-2013 |
| Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 541.15 |
| Molecular Formula: | C30 H37 Cl N2 O3 S |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCCCSC1CCCCC1)=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0855 |
| logD: | 7.0855 |
| logSw: | -6.4242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.538 |
| InChI Key: | YDAFKPRNLQMGKL-UHFFFAOYSA-N |