ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V007-2296 |
| Compound Name: | ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 517.53 |
| Molecular Formula: | C25 H22 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCC(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0848 |
| logD: | 6.0812 |
| logSw: | -5.5196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.451 |
| InChI Key: | JEDPMUBXXZZSSK-UHFFFAOYSA-N |