N-[(3-fluorophenyl)methyl]-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
N-[(3-fluorophenyl)methyl]-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Compound characteristics
| Compound ID: | S895-1094 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C22 H30 F N5 O2 |
| Smiles: | COCCc1nnc2CCC3(CCN(CC3)C(NCc3cccc(c3)F)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.3441 |
| logD: | 1.3437 |
| logSw: | -1.8417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.373 |
| InChI Key: | AQQVGCYIBGYFTJ-UHFFFAOYSA-N |