3'-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Chemical Structure Depiction of
3'-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
3'-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Compound characteristics
| Compound ID: | S895-1075 |
| Compound Name: | 3'-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | Cc1ccc(CNC(N2CCC3(CCc4nnc(CCOC)n4CC3)CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6034 |
| logD: | 1.603 |
| logSw: | -1.9192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.373 |
| InChI Key: | ZJGYBYABSDRIGZ-UHFFFAOYSA-N |