2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | D532-0048 |
| Compound Name: | 2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C20 H22 F N5 O3 S2 |
| Smiles: | CN(C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4224 |
| logD: | 1.4224 |
| logSw: | -2.2699 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.73 |
| InChI Key: | OZYHLSZAUCNMKC-UHFFFAOYSA-N |