methyl 4-[3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
methyl 4-[3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | L705-2577 |
| Compound Name: | methyl 4-[3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5301 |
| logD: | 2.5292 |
| logSw: | -3.0252 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.535 |
| InChI Key: | OMKGNPPZMSNXLT-CYBMUJFWSA-N |