3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(4-sulfamoylphenyl)butanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(4-sulfamoylphenyl)butanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(4-sulfamoylphenyl)butanamide
Compound characteristics
| Compound ID: | L705-0470 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(4-sulfamoylphenyl)butanamide |
| Molecular Weight: | 483.58 |
| Molecular Formula: | C19 H21 N3 O6 S3 |
| Smiles: | CC(CC(Nc1ccc(cc1)S(N)(=O)=O)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6628 |
| logD: | 0.6548 |
| logSw: | -2.1186 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.643 |
| InChI Key: | FMPONPCPLOQJFO-LBPRGKRZSA-N |