2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)acetamide
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-3008 |
| Compound Name: | 2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C20 H19 Cl N6 O S2 |
| Smiles: | Cc1csc(NC(CSc2nnc(Cc3cccn3C)n2c2ccc(cc2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9893 |
| logD: | 3.9843 |
| logSw: | -4.4486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.589 |
| InChI Key: | HQXVXEDPMMBYIV-UHFFFAOYSA-N |