2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)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-(butylsulfanyl)propyl]acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-1995 |
| Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide |
| Molecular Weight: | 515.11 |
| Molecular Formula: | C28 H35 Cl N2 O3 S |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C\c2ccc(cc2)[Cl])Oc2ccc(cc12)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5342 |
| logD: | 6.5342 |
| logSw: | -6.3533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.617 |
| InChI Key: | IQLFOJIIMPRJQV-UHFFFAOYSA-N |