N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0099 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 587.79 |
| Molecular Formula: | C37 H37 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCCN3CCc4ccccc4C3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4398 |
| logD: | 6.2899 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.969 |
| InChI Key: | MAYDLFROFCKJHW-UHFFFAOYSA-N |