2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D532-0179 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C24 H22 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1c1ccccc1)SCC(Nc1ccccc1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1276 |
| logD: | 3.1276 |
| logSw: | -3.5184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.427 |
| InChI Key: | UTIXQYANTUSBGO-UHFFFAOYSA-N |