N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D580-0252 |
Compound Name: | N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 487.64 |
Molecular Formula: | C23 H29 N5 O3 S2 |
Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(Nc1ccc(C)c(C)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.977 |
logD: | 3.977 |
logSw: | -3.7802 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.68 |
InChI Key: | DREINLSOXHUSOT-UHFFFAOYSA-N |