2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | V002-8614 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C19 H18 N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CC1C(Nc2ccccc2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8757 |
| logD: | 2.8757 |
| logSw: | -3.2248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.899 |
| InChI Key: | SIJASYJTMKVKRP-KRWDZBQOSA-N |