N-{2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
N-{2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-1258 |
| Compound Name: | N-{2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[3-(4-methylbenzene-1-sulfonyl)imidazolidin-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 613.78 |
| Molecular Formula: | C28 H31 N5 O5 S3 |
| Smiles: | CCOc1ccc2c(c1)nc([nH]2)SC/C(=N/S(c1ccc(C)cc1)(=O)=O)N1CCN(C1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0948 |
| logD: | 4.7235 |
| logSw: | -4.9103 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.5 |
| InChI Key: | WRUHNSLLENPEKV-UHFFFAOYSA-N |