methyl 3-{2-[(5-carbamoyl-2-phenyl-2H-1,2,3-triazol-4-yl)amino]-2-oxoethoxy}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(5-carbamoyl-2-phenyl-2H-1,2,3-triazol-4-yl)amino]-2-oxoethoxy}benzoate
methyl 3-{2-[(5-carbamoyl-2-phenyl-2H-1,2,3-triazol-4-yl)amino]-2-oxoethoxy}benzoate
Compound characteristics
| Compound ID: | 8016-6681 |
| Compound Name: | methyl 3-{2-[(5-carbamoyl-2-phenyl-2H-1,2,3-triazol-4-yl)amino]-2-oxoethoxy}benzoate |
| Molecular Weight: | 395.37 |
| Molecular Formula: | C19 H17 N5 O5 |
| Smiles: | COC(c1cccc(c1)OCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4919 |
| logD: | 1.4873 |
| logSw: | -2.1595 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.591 |
| InChI Key: | NNKANYXIIPQFJN-UHFFFAOYSA-N |