N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | G640-0158 |
| Compound Name: | N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-phenylacetamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CN(C(CN1C(CCSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5023 |
| logD: | 2.5023 |
| logSw: | -2.8278 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.14 |
| InChI Key: | IQLQUQKJCZTUQH-UHFFFAOYSA-N |