2-fluoro-N-{[4-(3-methylphenyl)-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
2-fluoro-N-{[4-(3-methylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
2-fluoro-N-{[4-(3-methylphenyl)-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: | C592-0471 |
| Compound Name: | 2-fluoro-N-{[4-(3-methylphenyl)-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: | 497.57 |
| Molecular Formula: | C22 H20 F N7 O2 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccccc2F)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1694 |
| logD: | 3.1286 |
| logSw: | -3.6343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.874 |
| InChI Key: | MBHRKMNDUWIYTP-UHFFFAOYSA-N |