6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-1,3-benzothiazol-2(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F818-0479 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C17 H16 N2 O3 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7135 |
| logD: | 3.7135 |
| logSw: | -3.9633 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.221 |
| InChI Key: | VPBZAEYAELDKHF-UHFFFAOYSA-N |