2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D580-1651 |
| Compound Name: | 2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C22 H26 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6394 |
| logD: | 3.6392 |
| logSw: | -3.6719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.68 |
| InChI Key: | XMIPIWJZBCHEFE-UHFFFAOYSA-N |