N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0169 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C23 H27 N3 O5 S2 |
| Smiles: | COc1ccc(CNC(CN2C(CCSc3ccc(cc23)S(N2CCCC2)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8872 |
| logD: | 2.8872 |
| logSw: | -3.7016 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.042 |
| InChI Key: | JXZJFJSXFIYXDR-UHFFFAOYSA-N |