6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-0086 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CCN1C(=O)Sc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8041 |
| logD: | 3.8041 |
| logSw: | -4.0172 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.921 |
| InChI Key: | XJCNFLBHUXJLLV-UHFFFAOYSA-N |