N-ethyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
N-ethyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
N-ethyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | G640-0555 |
| Compound Name: | N-ethyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | CCN(C(CN1C(C(C)CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.531 |
| logD: | 3.531 |
| logSw: | -3.8837 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.841 |
| InChI Key: | JMAHCZRXKFNYOP-GOSISDBHSA-N |