1-benzyl-N-[(3-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[(3-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-benzyl-N-[(3-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4382 |
| Compound Name: | 1-benzyl-N-[(3-chloro-4-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(c(c1)[Cl])F)NC(c1c(n2cccc2)n(Cc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9758 |
| logD: | 3.9758 |
| logSw: | -4.4302 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | YESRFTZHOBEUAF-UHFFFAOYSA-N |