2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | G640-0170 |
| Compound Name: | 2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(Nc1ccccc1)=O)C(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1353 |
| logD: | 3.1353 |
| logSw: | -3.6361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.176 |
| InChI Key: | ROLGMOHCGRYTGH-UHFFFAOYSA-N |