N-{5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}adamantane-1-carboxamide
N-{5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 6258-0448 |
| Compound Name: | N-{5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}adamantane-1-carboxamide |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C24 H26 N4 O3 S2 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(NN1C(/C(=C\c2ccc3c(c2)N(C)C(N3C)=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2173 |
| logD: | 4.2074 |
| logSw: | -4.3834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.562 |
| InChI Key: | VNDSAUYUTXFZBS-UHFFFAOYSA-N |