methyl 4-[2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | C677-0274 |
| Compound Name: | methyl 4-[2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C24 H22 F N5 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9553 |
| logD: | 3.9553 |
| logSw: | -4.1814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.91 |
| InChI Key: | HAFVYSKURMXBGR-UHFFFAOYSA-N |