2-benzylidene-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9502 |
| Compound Name: | 2-benzylidene-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C28 H27 N3 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)NC(/C(=C/c1ccccc1)S2)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.8329 |
| logD: | 3.683 |
| logSw: | -4.763 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.744 |
| InChI Key: | USRVYLHVUXYHLT-UHFFFAOYSA-N |