2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-1H-benzimidazole
Chemical Structure Depiction of
2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-1H-benzimidazole
2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-1H-benzimidazole
Compound characteristics
Compound ID: | 8010-8736 |
Compound Name: | 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-1H-benzimidazole |
Molecular Weight: | 332.81 |
Molecular Formula: | C16 H13 Cl N2 O2 S |
Smiles: | Cc1cccc2c1nc([nH]2)SCc1cc2c(cc1[Cl])OCO2 |
Stereo: | ACHIRAL |
logP: | 4.5668 |
logD: | 4.3145 |
logSw: | -4.6312 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.866 |
InChI Key: | HUUYFKDVDXNCTF-UHFFFAOYSA-N |