1-[(4-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[(4-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4920 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | Cc1ccc(Cn2c(c(C(NCc3ccc(cc3)SC)=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5036 |
| logD: | 4.5036 |
| logSw: | -4.1995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | HGLHPRVIBHFEGS-UHFFFAOYSA-N |