N-benzyl-2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-benzyl-2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C592-4025 |
| Compound Name: | N-benzyl-2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C17 H20 N8 O S2 |
| Smiles: | Cn1c(CSc2nc(cc(N)n2)N)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9727 |
| logD: | 0.6981 |
| logSw: | -2.1679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 109.064 |
| InChI Key: | XLIFQNKMWNBHOQ-UHFFFAOYSA-N |