6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E966-1539 |
| Compound Name: | 6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3634 |
| logD: | 3.3634 |
| logSw: | -3.6154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.137 |
| InChI Key: | OIDNQHJITXWKMF-MRXNPFEDSA-N |