2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
Compound characteristics
| Compound ID: | D532-0015 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C23 H22 F N5 O3 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc2ccccc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1965 |
| logD: | 3.1965 |
| logSw: | -3.5698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.494 |
| InChI Key: | IXFSHQNWUWGSMO-UHFFFAOYSA-N |