N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2375 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1566 |
| logD: | 3.0887 |
| logSw: | -3.5202 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.634 |
| InChI Key: | FCEHDWLLBKAIHF-OAHLLOKOSA-N |