4-(dimethylsulfamoyl)-N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K400-08819 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 572.69 |
| Molecular Formula: | C23 H24 N8 O4 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N(C)C)(=O)=O)=O)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.6372 |
| logD: | 1.5965 |
| logSw: | -2.5098 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.538 |
| InChI Key: | LKNRBVIFUJTSNZ-UHFFFAOYSA-N |