methyl 4-[2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8014-6248 |
| Compound Name: | methyl 4-[2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(Cc2ccc(cc2)OC)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.372 |
| logD: | 4.3719 |
| logSw: | -4.3412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.556 |
| InChI Key: | LXAYNENPAODKPS-UHFFFAOYSA-N |