N-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-2452 |
| Compound Name: | N-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | COc1ccc(Cn2c(c(C(Nc3ccccc3[Cl])=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.001 |
| logD: | 4.0008 |
| logSw: | -4.2656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | CXUYANXWLNASLN-UHFFFAOYSA-N |