N-phenyl-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-phenyl-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
N-phenyl-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: | S895-1142 |
| Compound Name: | N-phenyl-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(Nc3ccccc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.5078 |
| logD: | 2.4881 |
| logSw: | -2.8001 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.732 |
| InChI Key: | FLUGOSYMMATBGR-UHFFFAOYSA-N |