1-[5-methyl-3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[5-methyl-3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
1-[5-methyl-3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-7739 |
| Compound Name: | 1-[5-methyl-3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C23 H27 N5 O5 S2 |
| Smiles: | CC(C)C1N(C(C)CN1S(c1ccc(C)cc1)(=O)=O)C(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2988 |
| logD: | 3.6457 |
| logSw: | -4.2566 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.429 |
| InChI Key: | OCPIMWDSWLRKQT-UHFFFAOYSA-N |