1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6995-0177 |
| Compound Name: | 1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C19 H19 N5 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN(C1)C(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8566 |
| logD: | 2.2035 |
| logSw: | -3.5007 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.379 |
| InChI Key: | QXLUGXOMRXATTK-UHFFFAOYSA-N |