ethyl 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-5033 |
| Compound Name: | ethyl 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 509.44 |
| Molecular Formula: | C23 H26 Br F N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCCOC(C)C)SCc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.589 |
| logD: | 6.5886 |
| logSw: | -5.6094 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.682 |
| InChI Key: | HUWPIKGYADJDCV-UHFFFAOYSA-N |