2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | C592-3011 |
| Compound Name: | 2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 442.93 |
| Molecular Formula: | C20 H19 Cl N6 O2 S |
| Smiles: | Cc1cc(NC(CSc2nnc(Cc3cccn3C)n2c2ccc(cc2)[Cl])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8046 |
| logD: | 3.7893 |
| logSw: | -4.3192 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.531 |
| InChI Key: | XEAWXUNPQJVVBA-UHFFFAOYSA-N |