N-(3,5-difluorophenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-difluorophenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3,5-difluorophenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0374 |
| Compound Name: | N-(3,5-difluorophenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C20 H20 F3 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1cc(cc(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0577 |
| logD: | 3.0478 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.68 |
| InChI Key: | UMDLYMJCZRKPFR-UHFFFAOYSA-N |