N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C699-0460 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 471.66 |
| Molecular Formula: | C29 H33 N3 O S |
| Smiles: | Cc1ccc(CN2CCSc3ccc(cc23)C(NCCCN2CCc3ccccc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0685 |
| logD: | 3.9186 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7004 |
| InChI Key: | XCLHZJQXGZLOIH-UHFFFAOYSA-N |