1-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Chemical Structure Depiction of
1-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
1-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Compound characteristics
Compound ID: | 8013-5732 |
Compound Name: | 1-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline |
Molecular Weight: | 321.44 |
Molecular Formula: | C19 H19 N3 S |
Smiles: | CC1(C)Cc2ccccc2C(CSc2nc3ccccc3[nH]2)=N1 |
Stereo: | ACHIRAL |
logP: | 4.0056 |
logD: | 3.8959 |
logSw: | -4.3577 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 25.7558 |
InChI Key: | PNSCAIWYNDYTJT-UHFFFAOYSA-N |