N-(2-ethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2-ethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0579 |
| Compound Name: | N-(2-ethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C24 H29 N3 O5 S2 |
| Smiles: | CCOc1ccccc1NC(CN1C(C(C)CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.753 |
| logD: | 3.7529 |
| logSw: | -3.9013 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.411 |
| InChI Key: | DEQKZCFKAVNGLR-QGZVFWFLSA-N |