3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]--hydrogen chloride (1/1)
Chemical Structure Depiction of
3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]--hydrogen chloride (1/1)
3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S895-0002 |
| Compound Name: | 3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]--hydrogen chloride (1/1) |
| Molecular Weight: | 286.8 |
| Molecular Formula: | C13 H22 N4 O |
| Salt: | HCl |
| Smiles: | COCc1nnc2CCC3(CCNCC3)CCn12 |
| Stereo: | ACHIRAL |
| logP: | -0.798 |
| logD: | -2.9052 |
| logSw: | 0.2306 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.815 |
| InChI Key: | MXUNLXYDCHOXHD-UHFFFAOYSA-N |