N-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | L116-2466 |
Compound Name: | N-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 421.88 |
Molecular Formula: | C22 H20 Cl N5 O2 |
Smiles: | Cc1ccc(c(c1)[Cl])NC(c1c(n2cccc2)n(Cc2ccc(cc2)OC)nn1)=O |
Stereo: | ACHIRAL |
logP: | 4.674 |
logD: | 4.6738 |
logSw: | -4.8547 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.674 |
InChI Key: | FXVNXPQSNZGYKP-UHFFFAOYSA-N |