methyl 2-{2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G640-0581 |
| Compound Name: | methyl 2-{2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C24 H27 N3 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3029 |
| logD: | 3.2766 |
| logSw: | -3.9047 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.374 |
| InChI Key: | MZIFVYPVBQWREV-MRXNPFEDSA-N |