N-benzyl-N-methyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-N-methyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-benzyl-N-methyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0559 |
| Compound Name: | N-benzyl-N-methyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(N(C)Cc2ccccc2)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4977 |
| logD: | 3.4977 |
| logSw: | -3.9482 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.644 |
| InChI Key: | XOJNIWGBYZYIII-GOSISDBHSA-N |