methyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
methyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C714-0130 |
| Compound Name: | methyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(cc2)C(=O)OC)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.563 |
| logD: | 3.5628 |
| logSw: | -3.8526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.273 |
| InChI Key: | BGZURCDMINHTHC-ZDUSSCGKSA-N |