N-{3-[benzyl(methyl)amino]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{3-[benzyl(methyl)amino]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1637 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCCN(C)Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8743 |
| logD: | 1.8222 |
| logSw: | -3.4962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.084 |
| InChI Key: | IJVYGEYRSXDPFV-MRXNPFEDSA-N |