ethyl 1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate
ethyl 1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | 8014-9261 |
Compound Name: | ethyl 1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 395.42 |
Molecular Formula: | C19 H21 N7 O3 |
Smiles: | CCOC(c1c(c2ccccc2)n(c2nc(nc(n2)OC)N2CCCC2)nn1)=O |
Stereo: | ACHIRAL |
logP: | 3.8696 |
logD: | 3.8696 |
logSw: | -3.8218 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 85.476 |
InChI Key: | WCLHDCDASBVDOI-UHFFFAOYSA-N |