2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-[4-(pyrrolidine-1-sulfonyl)phenyl]propanenitrile
Chemical Structure Depiction of
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-[4-(pyrrolidine-1-sulfonyl)phenyl]propanenitrile
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-[4-(pyrrolidine-1-sulfonyl)phenyl]propanenitrile
Compound characteristics
| Compound ID: | 2513-0414 |
| Compound Name: | 2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-[4-(pyrrolidine-1-sulfonyl)phenyl]propanenitrile |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CN1C(=C(/C#N)C(c2ccc(cc2)S(N2CCCC2)(=O)=O)=O)\Nc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8852 |
| logD: | 2.8851 |
| logSw: | -3.7187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.058 |
| InChI Key: | RTAUVMLXUWCMCB-UHFFFAOYSA-N |