6-tert-butyl-2-[(4-chlorophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-2-[(4-chlorophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-2-[(4-chlorophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1992 |
| Compound Name: | 6-tert-butyl-2-[(4-chlorophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 501.03 |
| Molecular Formula: | C30 H29 Cl N2 O3 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(N1CCc3ccccc3C1)=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5354 |
| logD: | 6.5354 |
| logSw: | -6.276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.087 |
| InChI Key: | YFNTVQMTKKZMJR-JVWAILMASA-N |