N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3367 |
| Compound Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C17 H20 N2 O4 S3 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCCSCc1ccco1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2516 |
| logD: | 3.2511 |
| logSw: | -3.6217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.796 |
| InChI Key: | DJUKZCNDLCNGGN-GFCCVEGCSA-N |