N-{3-[benzyl(ethyl)amino]propyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{3-[benzyl(ethyl)amino]propyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3341 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C22 H29 N3 O3 S2 |
| Smiles: | CCN(CCCNS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5363 |
| logD: | 2.3419 |
| logSw: | -3.7579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.733 |
| InChI Key: | FXNYRLXZKLGKHB-QGZVFWFLSA-N |