1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8538-0136 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 341.33 |
| Molecular Formula: | C15 H15 N7 O3 |
| Smiles: | C1CN(Cc2ccccc12)Cc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 0.8049 |
| logD: | -4.8482 |
| logSw: | -1.4715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.642 |
| InChI Key: | VFAVMRPFBNTQEF-UHFFFAOYSA-N |