N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9561 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C30 H31 N3 O2 S |
| Smiles: | Cc1cccc(\C=C2/C(N(C)c3cc(ccc3S2)C(NCCCN2CCc3ccccc3C2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0856 |
| logD: | 3.9357 |
| logSw: | -4.7213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.006 |
| InChI Key: | PPQFSMLIBFPOBZ-UHFFFAOYSA-N |