methyl 3-[(2-{[1-benzyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(2-{[1-benzyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)methyl]benzoate
methyl 3-[(2-{[1-benzyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)methyl]benzoate
Compound characteristics
| Compound ID: | 8019-8935 |
| Compound Name: | methyl 3-[(2-{[1-benzyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)methyl]benzoate |
| Molecular Weight: | 513.54 |
| Molecular Formula: | C26 H22 F3 N3 O3 S |
| Smiles: | COC(c1cccc(CNC(CSc2nc3cc(ccc3n2Cc2ccccc2)C(F)(F)F)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7494 |
| logD: | 5.7491 |
| logSw: | -5.6685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.123 |
| InChI Key: | IXTOQZLXRYRVQP-UHFFFAOYSA-N |