N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K786-6044 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 530.66 |
| Molecular Formula: | C25 H30 N4 O5 S2 |
| Smiles: | C1CN(CCNC(CN2C(CSc3ccc(cc23)S(N2CCOCC2)(=O)=O)=O)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.7563 |
| logD: | 1.4454 |
| logSw: | -2.6558 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.196 |
| InChI Key: | YTHDEYBOUNFLKB-UHFFFAOYSA-N |