N-[2-(4-chlorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4871 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C22 H19 Cl F N5 O |
| Smiles: | C(CNC(c1c(n2cccc2)n(Cc2cccc(c2)F)nn1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0113 |
| logD: | 4.0113 |
| logSw: | -4.6054 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.992 |
| InChI Key: | USFBOKVXVQOQSP-UHFFFAOYSA-N |