2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)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-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-2009 |
| Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C31 H31 Cl N2 O5 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CN1C(/C(=C\c2ccc(cc2)[Cl])Oc2ccc(cc12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7289 |
| logD: | 5.7289 |
| logSw: | -6.1149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.491 |
| InChI Key: | JPKXOJHJULUHJX-IBGZPJMESA-N |