N-(2-ethoxyphenyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
N-(2-ethoxyphenyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Compound characteristics
| Compound ID: | S895-1245 |
| Compound Name: | N-(2-ethoxyphenyl)-3'-(propan-2-yl)-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: | CCOc1ccccc1NC(N1CCC2(CCc3nnc(C(C)C)n3CC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2702 |
| logD: | 3.2504 |
| logSw: | -3.4194 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.244 |
| InChI Key: | YAMZXDTXVWCKOO-UHFFFAOYSA-N |