2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0512 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C18 H18 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1c1ccccc1)SCC(N)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1582 |
| logD: | 1.1582 |
| logSw: | -2.2764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.938 |
| InChI Key: | QHVFXFVESPPPGL-UHFFFAOYSA-N |