2-({1-[2-(3-cyanoanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-({1-[2-(3-cyanoanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide
2-({1-[2-(3-cyanoanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | G534-0936 |
| Compound Name: | 2-({1-[2-(3-cyanoanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | CN(C(CSc1nc2ccccc2n1CC(Nc1cccc(C#N)c1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0853 |
| logD: | 4.085 |
| logSw: | -4.1558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.796 |
| InChI Key: | PLVAKDIIDZSMLE-UHFFFAOYSA-N |