2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D580-0497 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C20 H22 F N5 O3 S3 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4417 |
| logD: | 2.4417 |
| logSw: | -3.0132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.766 |
| InChI Key: | OKJOMYBOYKPYBG-UHFFFAOYSA-N |