N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-1024 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C18 H23 N7 O3 S3 |
| Smiles: | CCc1nnc(NC(CSc2nnc(CN(c3ccc(C)cc3)S(C)(=O)=O)n2C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9664 |
| logD: | 1.9188 |
| logSw: | -2.6421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.806 |
| InChI Key: | ZMSWVFQNZQXQFM-UHFFFAOYSA-N |