2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G640-0590 |
| Compound Name: | 2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C25 H31 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(Nc2c(C)cc(C)cc2C)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0916 |
| logD: | 4.0916 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.503 |
| InChI Key: | ZBGRMTHNJHKWFX-LJQANCHMSA-N |