N-(4-chlorophenyl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-chlorophenyl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0101 |
| Compound Name: | N-(4-chlorophenyl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 451.98 |
| Molecular Formula: | C23 H22 Cl N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8536 |
| logD: | 4.8536 |
| logSw: | -4.8581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.736 |
| InChI Key: | ACDHDPKNYXCTGA-UHFFFAOYSA-N |