methyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
methyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G008-1832 |
| Compound Name: | methyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2033 |
| logD: | 2.619 |
| logSw: | -3.6093 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.271 |
| InChI Key: | KFXBWYXLLNIINQ-LLVKDONJSA-N |