2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D580-1602 |
| Compound Name: | 2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C21 H24 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0187 |
| logD: | 3.0186 |
| logSw: | -3.4053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.68 |
| InChI Key: | YLTNNKRBGCBJDN-UHFFFAOYSA-N |