methyl 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
methyl 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | C200-1533 |
Compound Name: | methyl 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 305.29 |
Molecular Formula: | C13 H15 N5 O4 |
Smiles: | COC(c1c(N)n(CC(Nc2ccc(cc2)OC)=O)nn1)=O |
Stereo: | ACHIRAL |
logP: | 0.373 |
logD: | 0.373 |
logSw: | -1.8941 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.063 |
InChI Key: | XIWYRCLGNGYOQZ-UHFFFAOYSA-N |