2-{[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-8919 |
| Compound Name: | 2-{[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCc1nc2cc3c(cc2[nH]1)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 2.5337 |
| logD: | 2.4772 |
| logSw: | -2.4334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.681 |
| InChI Key: | NHAOSLOCUGLPAW-UHFFFAOYSA-N |