2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D532-0358 |
| Compound Name: | 2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide |
| Molecular Weight: | 495.57 |
| Molecular Formula: | C21 H23 F2 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1cccc(c1C)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7566 |
| logD: | 2.7563 |
| logSw: | -3.1085 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.983 |
| InChI Key: | KNWPIRHTISGPPY-UHFFFAOYSA-N |