2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C677-0162 |
| Compound Name: | 2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(Cc2cccn2C)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1779 |
| logD: | 4.1779 |
| logSw: | -4.4041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | KNOAECFXCLRWRC-UHFFFAOYSA-N |