ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-9413 |
| Compound Name: | ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C25 H30 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCCOC(C)C)SCc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4832 |
| logD: | 5.4818 |
| logSw: | -5.3152 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.856 |
| InChI Key: | WOBWPWVDJCBCSH-UHFFFAOYSA-N |