N-{2-[cyano(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetyl]phenyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[cyano(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetyl]phenyl}-4-methylbenzene-1-sulfonamide
N-{2-[cyano(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetyl]phenyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2513-0450 |
| Compound Name: | N-{2-[cyano(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetyl]phenyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1)S(Nc1ccccc1C(C(\C#N)=C1/Nc2ccccc2N1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1616 |
| logD: | 1.2803 |
| logSw: | -4.3282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.933 |
| InChI Key: | JJKKIXWTRHRRHE-UHFFFAOYSA-N |