3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl cyclohexyl(methyl)carbamodithioate
Chemical Structure Depiction of
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl cyclohexyl(methyl)carbamodithioate
3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl cyclohexyl(methyl)carbamodithioate
Compound characteristics
| Compound ID: | Y020-5788 |
| Compound Name: | 3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl cyclohexyl(methyl)carbamodithioate |
| Molecular Weight: | 386.54 |
| Molecular Formula: | C19 H22 N4 O S2 |
| Smiles: | CN(C1CCCCC1)C(=S)SCC(C(C#N)=C1Nc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8941 |
| logD: | 3.8928 |
| logSw: | -3.9263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.233 |
| InChI Key: | DRDRETKIKBUNRK-UHFFFAOYSA-N |