N-[(furan-2-yl)methyl]-N-[2-(morpholin-4-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N-[2-(morpholin-4-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(furan-2-yl)methyl]-N-[2-(morpholin-4-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2804 |
| Compound Name: | N-[(furan-2-yl)methyl]-N-[2-(morpholin-4-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C20 H25 N3 O5 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N(CCN1CCOCC1)Cc1ccco1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6259 |
| logD: | 1.6192 |
| logSw: | -2.5621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.112 |
| InChI Key: | WLYIJJPITQELPW-UHFFFAOYSA-N |