N-(2-ethylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-ethylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-0331 |
| Compound Name: | N-(2-ethylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C22 H27 N5 O3 S2 |
| Smiles: | CCc1ccccc1NC(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8746 |
| logD: | 2.8746 |
| logSw: | -3.3308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.068 |
| InChI Key: | SYOHZERWLMCDHI-UHFFFAOYSA-N |