N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | A0062212 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 600.74 |
| Molecular Formula: | C25 H28 N8 O4 S3 |
| Smiles: | Cc1ccc(C)c(c1)n1c(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6917 |
| logD: | 2.651 |
| logSw: | -3.1312 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.237 |
| InChI Key: | JFCRKLRGQMPAPK-UHFFFAOYSA-N |