ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyethyl)-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyethyl)-1H-benzimidazole-5-carboxylate
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyethyl)-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-4162 |
| Compound Name: | ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyethyl)-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCOC)SCc1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4846 |
| logD: | 5.4833 |
| logSw: | -6.0008 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.939 |
| InChI Key: | HIWIIAVAEWMOQY-UHFFFAOYSA-N |