2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D580-0940 |
| Compound Name: | 2-[(4-ethyl-5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C18 H23 N7 O3 S3 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8168 |
| logD: | 1.7669 |
| logSw: | -2.5777 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.032 |
| InChI Key: | BBENJCPJDCWXMZ-UHFFFAOYSA-N |