2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D532-0254 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C18 H20 F N5 O4 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4127 |
| logD: | 1.4127 |
| logSw: | -2.411 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.837 |
| InChI Key: | CBIIIOLMDJUARZ-UHFFFAOYSA-N |