ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-0390 |
| Compound Name: | ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 468.66 |
| Molecular Formula: | C27 H36 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCCOC(C)C)SCc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0152 |
| logD: | 7.0138 |
| logSw: | -5.5553 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.682 |
| InChI Key: | VNPDXXVYQOVWMO-UHFFFAOYSA-N |