2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2465 |
| Compound Name: | 2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H24 F N3 O4 S |
| Smiles: | COc1cccc(CNC(COC(CSc2nc3ccccc3n2Cc2ccc(cc2)F)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7769 |
| logD: | 4.7504 |
| logSw: | -4.6382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.027 |
| InChI Key: | KQTWPKYZHQLUMS-UHFFFAOYSA-N |