N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0056 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C22 H26 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5827 |
| logD: | 3.5827 |
| logSw: | -3.7017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.68 |
| InChI Key: | PIPJYNJAHYWARZ-UHFFFAOYSA-N |