N-(3-fluorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-1113 |
| Compound Name: | N-(3-fluorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H19 F N4 O3 S2 |
| Smiles: | CSc1ccc(CNC(COCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0801 |
| logD: | 3.0768 |
| logSw: | -3.4126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.963 |
| InChI Key: | KMBASJGFMMVMOA-UHFFFAOYSA-N |