N-[(furan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(furan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0119 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(NCc1ccco1)=O)C(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6555 |
| logD: | 2.6555 |
| logSw: | -3.2393 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.247 |
| InChI Key: | LRPLTUVESCMZPB-UHFFFAOYSA-N |