2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-[4-(morpholine-4-sulfonyl)phenyl]-3-oxopropanenitrile
Chemical Structure Depiction of
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-[4-(morpholine-4-sulfonyl)phenyl]-3-oxopropanenitrile
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-[4-(morpholine-4-sulfonyl)phenyl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 2513-0413 |
| Compound Name: | 2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-[4-(morpholine-4-sulfonyl)phenyl]-3-oxopropanenitrile |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CN1C(=C(/C#N)C(c2ccc(cc2)S(N2CCOCC2)(=O)=O)=O)\Nc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.2262 |
| logD: | 2.2262 |
| logSw: | -2.8331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.601 |
| InChI Key: | NKSDXDFVRMVNIJ-UHFFFAOYSA-N |