N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2769 |
| Compound Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C16 H18 N2 O4 S3 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCSCc1ccco1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6056 |
| logD: | 2.6054 |
| logSw: | -3.0921 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.739 |
| InChI Key: | LDVRSUCHUNBCBT-UHFFFAOYSA-N |