5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0343 |
| Compound Name: | 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C20 H27 N3 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N(CCN(C)C)Cc1ccco1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7185 |
| logD: | 2.1519 |
| logSw: | -3.3124 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 59.59 |
| InChI Key: | JXDHEPSQMOMPTC-UHFFFAOYSA-N |