N-butyl-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-butyl-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4566 |
| Compound Name: | N-butyl-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 357.84 |
| Molecular Formula: | C18 H20 Cl N5 O |
| Smiles: | CCCCNC(c1c(n2cccc2)n(Cc2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7681 |
| logD: | 3.7681 |
| logSw: | -4.285 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | JOALETNOUNVRBB-UHFFFAOYSA-N |