N-(4-fluorophenyl)-5-({[3-(methylsulfanyl)phenyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-({[3-(methylsulfanyl)phenyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-({[3-(methylsulfanyl)phenyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0070 |
| Compound Name: | N-(4-fluorophenyl)-5-({[3-(methylsulfanyl)phenyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C18 H16 F N5 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(NCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3462 |
| logD: | 3.3435 |
| logSw: | -3.7235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.954 |
| InChI Key: | JXOAYAWEOSIVHQ-UHFFFAOYSA-N |