6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-0479 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | C1CCN(CC1)C(CCN1C(=O)Sc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.023 |
| logD: | 4.023 |
| logSw: | -4.1151 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.555 |
| InChI Key: | CTCDBSVBKDETMA-UHFFFAOYSA-N |