propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-1835 |
| Compound Name: | propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C15 H23 N7 O3 |
| Smiles: | CC(C)OC(c1c(CN2CCCCCC2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8267 |
| logD: | 0.4184 |
| logSw: | -1.8607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.336 |
| InChI Key: | YJZLZQZNTOFYKQ-UHFFFAOYSA-N |