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 |