methyl 5-amino-1-(2-anilino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(2-anilino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
methyl 5-amino-1-(2-anilino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C200-1563 |
| Compound Name: | methyl 5-amino-1-(2-anilino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C12 H13 N5 O3 |
| Smiles: | COC(c1c(N)n(CC(Nc2ccccc2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1989 |
| logD: | 0.1989 |
| logSw: | -1.9092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.52 |
| InChI Key: | VIGVRPXASDCTPU-UHFFFAOYSA-N |