N-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-2105 |
| Compound Name: | N-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 395.82 |
| Molecular Formula: | C20 H15 Cl F N5 O |
| Smiles: | C(c1cccc(c1)F)n1c(c(C(Nc2ccc(cc2)[Cl])=O)nn1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4865 |
| logD: | 4.4864 |
| logSw: | -4.7679 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.828 |
| InChI Key: | ARULFLSTTNNDJR-UHFFFAOYSA-N |