N-(4-methylphenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0358 |
| Compound Name: | N-(4-methylphenyl)-5-{[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(NCc2ccc(cc2)SC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3501 |
| logD: | 3.3501 |
| logSw: | -3.5786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.963 |
| InChI Key: | KMQWXZAJISXITE-UHFFFAOYSA-N |