2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0128 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C34 H30 N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCc4ccccc4C3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4723 |
| logD: | 7.4723 |
| logSw: | -5.5598 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3798 |
| InChI Key: | QSEWMAZCWXQLKR-UHFFFAOYSA-N |