N-benzyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-5256 |
| Compound Name: | N-benzyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | COc1ccc(Cn2c(c(C(NCc3ccccc3)=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3433 |
| logD: | 3.3433 |
| logSw: | -3.4973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.694 |
| InChI Key: | BLQADCWSSUZWSG-UHFFFAOYSA-N |