N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4854 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C21 H17 Cl F N5 O |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1c(n2cccc2)n(Cc2cccc(c2)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0778 |
| logD: | 4.0778 |
| logSw: | -4.5998 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | DETXOHIZSXDNCR-UHFFFAOYSA-N |