6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L306-0479 |
| Compound Name: | 6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6169 |
| logSw: | -3.8529 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.87 |
| InChI Key: | KTDCTMXMHRMRFD-UHFFFAOYSA-N |