3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl piperidine-1-carbodithioate
Chemical Structure Depiction of
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl piperidine-1-carbodithioate
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl piperidine-1-carbodithioate
Compound characteristics
| Compound ID: | Y020-5628 |
| Compound Name: | 3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl piperidine-1-carbodithioate |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C17 H18 N4 O S2 |
| Smiles: | C1CCN(CC1)C(=S)SCC(C(C#N)=C1Nc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2561 |
| logD: | 3.2548 |
| logSw: | -3.4426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.68 |
| InChI Key: | VONWAYYGNVRWFQ-UHFFFAOYSA-N |