1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1488 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C12 H17 N7 O3 |
| Smiles: | C1CCCN(CC1)Cc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 0.3279 |
| logD: | 0.3279 |
| logSw: | -0.0461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.311 |
| InChI Key: | IWUZTHHACDFAMC-UHFFFAOYSA-N |