ethyl 1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
ethyl 1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8018-1840 |
| Compound Name: | ethyl 1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 418.46 |
| Molecular Formula: | C21 H22 N8 O2 |
| Smiles: | CCOC(c1c(C)n(c2nc(nc(n2)n2cccc2)N(C)Cc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5582 |
| logD: | 4.5581 |
| logSw: | -4.3709 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.423 |
| InChI Key: | CUNATXLQDVDIIQ-UHFFFAOYSA-N |