N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-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]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2767 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCN1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7158 |
| logD: | 2.6481 |
| logSw: | -3.2704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.634 |
| InChI Key: | HEGUKJXOTUKCFA-UHFFFAOYSA-N |