4-(dimethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0062110 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 590.68 |
| Molecular Formula: | C23 H23 F N8 O4 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N(C)C)(=O)=O)=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7878 |
| logD: | 1.7471 |
| logSw: | -2.6852 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.538 |
| InChI Key: | FVAIVWXQXBJJTH-UHFFFAOYSA-N |