N-[(furan-2-yl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(furan-2-yl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0378 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | C1CCN(C1)C(CC1CSc2ccc(cc2NC1=O)S(NCc1ccco1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0619 |
| logD: | 2.0611 |
| logSw: | -2.9694 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.441 |
| InChI Key: | MWZFKNUJZBEVQG-CQSZACIVSA-N |