1-[(3-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[(3-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4708 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 437.95 |
| Molecular Formula: | C22 H20 Cl N5 O S |
| Smiles: | CSc1ccc(CNC(c2c(n3cccc3)n(Cc3cccc(c3)[Cl])nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7356 |
| logD: | 4.7356 |
| logSw: | -4.8117 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | RXFOPPKASMAQIU-UHFFFAOYSA-N |