2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
Compound ID: | D580-0277 |
Compound Name: | 2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide |
Molecular Weight: | 459.59 |
Molecular Formula: | C21 H25 N5 O3 S2 |
Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(Nc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 2.7979 |
logD: | 2.7979 |
logSw: | -3.3119 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.68 |
InChI Key: | VHTBPYJPSMJVIA-UHFFFAOYSA-N |