N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K786-5959 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C26 H32 N4 O5 S2 |
| Smiles: | C(CNC(CN1C(CSc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 1.8795 |
| logD: | 0.6754 |
| logSw: | -2.7526 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.196 |
| InChI Key: | ROXNAMIAPYSKCC-UHFFFAOYSA-N |