3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 4-methylpiperazine-1-carbodithioate
Chemical Structure Depiction of
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 4-methylpiperazine-1-carbodithioate
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 4-methylpiperazine-1-carbodithioate
Compound characteristics
| Compound ID: | Y020-5629 |
| Compound Name: | 3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 4-methylpiperazine-1-carbodithioate |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C17 H19 N5 O S2 |
| Smiles: | CN1CCN(CC1)C(=S)SCC(C(C#N)=C1Nc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0742 |
| logD: | 1.2693 |
| logSw: | -2.5918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.156 |
| InChI Key: | OKLUELPVNYWQEV-UHFFFAOYSA-N |