4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G837-0042 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1ccc(cc1)S(N1CCc3ccccc3C1)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.4706 |
| logD: | 5.468 |
| logSw: | -5.438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.587 |
| InChI Key: | BMSLXQRPLWBAMD-UHFFFAOYSA-N |