N-(4-fluorophenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0662 |
| Compound Name: | N-(4-fluorophenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C20 H19 F N4 O2 S3 |
| Smiles: | CSc1ccc(CNC(CSCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.982 |
| logD: | 3.9793 |
| logSw: | -4.0658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | ZMEKQQMVZJDOKU-UHFFFAOYSA-N |