2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9400 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C33 H28 N2 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(N2CCc3ccccc3C2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0449 |
| logD: | 7.0449 |
| logSw: | -5.6672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3798 |
| InChI Key: | XRXRXHLHEKEYQZ-UHFFFAOYSA-N |