ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-1591 |
| Compound Name: | ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C27 H27 F N2 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1cccc(c1)F)SCc1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 8.1473 |
| logD: | 7.9654 |
| logSw: | -5.6795 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2311 |
| InChI Key: | BRGPROPEQNRAOT-UHFFFAOYSA-N |