N-butyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-butyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4904 |
| Compound Name: | N-butyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C19 H23 N5 O |
| Smiles: | CCCCNC(c1c(n2cccc2)n(Cc2ccc(C)cc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5968 |
| logD: | 3.5968 |
| logSw: | -3.4166 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | DFNLPNGYGZRCEE-UHFFFAOYSA-N |