1-benzyl-N-[(3-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[(3-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-benzyl-N-[(3-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4376 |
| Compound Name: | 1-benzyl-N-[(3-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1c(n2cccc2)n(Cc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0582 |
| logD: | 4.0582 |
| logSw: | -4.4101 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | VMLYDVYHSRIIIZ-UHFFFAOYSA-N |