N-[(furan-2-yl)methyl]-4-oxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-oxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(furan-2-yl)methyl]-4-oxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2779 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-oxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C22 H22 N2 O4 S2 |
| Smiles: | CC(c1ccccc1)N(Cc1ccco1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0337 |
| logD: | 4.0334 |
| logSw: | -4.0744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.645 |
| InChI Key: | DAXMTEDRXKHEIR-INIZCTEOSA-N |