N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-1601 |
| Compound Name: | N-(2,5-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(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0308 |
| logD: | 3.0308 |
| logSw: | -3.2214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.983 |
| InChI Key: | ZOMCBXMNGIRZHG-UHFFFAOYSA-N |