ethyl 5-methyl-1-{4-[methyl(phenyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-1-{4-[methyl(phenyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-1H-1,2,3-triazole-4-carboxylate
ethyl 5-methyl-1-{4-[methyl(phenyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8018-1829 |
| Compound Name: | ethyl 5-methyl-1-{4-[methyl(phenyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 404.43 |
| Molecular Formula: | C20 H20 N8 O2 |
| Smiles: | CCOC(c1c(C)n(c2nc(nc(n2)n2cccc2)N(C)c2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9332 |
| logD: | 3.9331 |
| logSw: | -3.8845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.641 |
| InChI Key: | LQDVBAJTXRRCQB-UHFFFAOYSA-N |