3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)propanamide
3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
| Compound ID: | L705-1294 |
| Compound Name: | 3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2,4,6-trimethylphenyl)propanamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1c(C)cc(C)cc1C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7474 |
| logD: | 2.7472 |
| logSw: | -3.0564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.909 |
| InChI Key: | MSJIJGOOWAOVGT-MRXNPFEDSA-N |