2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7822 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 437.95 |
| Molecular Formula: | C22 H20 Cl N5 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc(Cc2ccccc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4012 |
| logD: | 4.4009 |
| logSw: | -4.4316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.574 |
| InChI Key: | RAMZPKBVXDHNPJ-UHFFFAOYSA-N |