1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y510-4537 |
| Compound Name: | 1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN(C1)C(CSc1nc2cc(C)ccc2[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2665 |
| logD: | 3.2519 |
| logSw: | -3.5026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.997 |
| InChI Key: | DYBCXQHOIZITPS-UHFFFAOYSA-N |