2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-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-[(oxolan-2-yl)methyl]acetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D580-0533 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C18 H24 F N5 O4 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1176 |
| logD: | 0.1176 |
| logSw: | -2.3074 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.742 |
| InChI Key: | XHSPLXCVDOUQHB-OAHLLOKOSA-N |