3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)butanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)butanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)butanamide
Compound characteristics
| Compound ID: | L705-0508 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)butanamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CC(CC(Nc1c(C)cc(C)cc1C)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8155 |
| logD: | 2.8153 |
| logSw: | -3.2155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.645 |
| InChI Key: | LWLCSKAWKKDZNV-INIZCTEOSA-N |