1-[(4-fluorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[(4-fluorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-2210 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H18 F N5 O S |
| Smiles: | CSc1cccc(c1)NC(c1c(n2cccc2)n(Cc2ccc(cc2)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2596 |
| logD: | 4.2596 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.828 |
| InChI Key: | TXJMYCCAVUIAEK-UHFFFAOYSA-N |