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
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
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: | C592-0444 |
| Compound Name: | 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: | 483.54 |
| Molecular Formula: | C21 H18 F N7 O2 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccccc3)=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.345 |
| logD: | 2.3042 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.874 |
| InChI Key: | WYZCEMPUIPUISY-UHFFFAOYSA-N |