N-(3-chlorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0544 |
| Compound Name: | N-(3-chlorophenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C20 H19 Cl N4 O3 S2 |
| Smiles: | CSc1ccc(CNC(COCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6803 |
| logD: | 3.677 |
| logSw: | -4.0313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.963 |
| InChI Key: | SJVRCFYUKYVSJD-UHFFFAOYSA-N |