5-acetyl-N-[2-methyl-1-(thiophen-2-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-methyl-1-(thiophen-2-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-methyl-1-(thiophen-2-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0258 |
| Compound Name: | 5-acetyl-N-[2-methyl-1-(thiophen-2-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 424.6 |
| Molecular Formula: | C19 H24 N2 O3 S3 |
| Smiles: | CC(C)C(c1cccs1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9669 |
| logD: | 3.9653 |
| logSw: | -3.9145 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.964 |
| InChI Key: | YMKRHCGFCRFEBG-IBGZPJMESA-N |