N-(3-methylbutyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-(3-methylbutyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | L116-4893 |
Compound Name: | N-(3-methylbutyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 351.45 |
Molecular Formula: | C20 H25 N5 O |
Smiles: | CC(C)CCNC(c1c(n2cccc2)n(Cc2ccc(C)cc2)nn1)=O |
Stereo: | ACHIRAL |
logP: | 3.8107 |
logD: | 3.8107 |
logSw: | -3.8055 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.263 |
InChI Key: | YENIJKZTRWQBLQ-UHFFFAOYSA-N |