N-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4927 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 405.89 |
| Molecular Formula: | C22 H20 Cl N5 O |
| Smiles: | Cc1ccc(Cn2c(c(C(NCc3ccc(cc3)[Cl])=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.379 |
| logD: | 4.379 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.15 |
| InChI Key: | KHBNVSYYKKGFQT-UHFFFAOYSA-N |