2-[(3-bromophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-3335 |
| Compound Name: | 2-[(3-bromophenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 505.43 |
| Molecular Formula: | C26 H21 Br N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7189 |
| logD: | 5.7189 |
| logSw: | -5.8276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.1239 |
| InChI Key: | LBZHMOHGCZEQSS-UHFFFAOYSA-N |