N-[2-methyl-1-(thiophen-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-methyl-1-(thiophen-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-methyl-1-(thiophen-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0123 |
| Compound Name: | N-[2-methyl-1-(thiophen-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C17 H20 N2 O3 S3 |
| Smiles: | CC(C)C(c1cccs1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.211 |
| logD: | 3.2095 |
| logSw: | -3.5475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.732 |
| InChI Key: | CUVMVAWPAXXHOF-KRWDZBQOSA-N |