ethyl 5-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
ethyl 5-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-4959 |
| Compound Name: | ethyl 5-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C22 H32 N8 O3 |
| Smiles: | CCOC(c1c(CN2CCN(CC2)C23CC4CC(CC(C4)C3)C2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7966 |
| logD: | 2.3429 |
| logSw: | -2.7849 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.278 |
| InChI Key: | GDZRHHODNXDWNL-UHFFFAOYSA-N |