N-(2-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitroanilino}ethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitroanilino}ethyl)-4-methylbenzene-1-sulfonamide
N-(2-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitroanilino}ethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6415-0701 |
| Compound Name: | N-(2-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitroanilino}ethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C22 H21 N5 O4 S2 |
| Smiles: | [H]N(CCN([H])S(c1ccc(C)cc1)(=O)=O)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5351 |
| logD: | 4.5271 |
| logSw: | -4.3566 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.008 |
| InChI Key: | NEHDGTDBVNTYGR-UHFFFAOYSA-N |