N-[(furan-2-yl)methyl]-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
N-[(furan-2-yl)methyl]-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Compound characteristics
| Compound ID: | S895-0319 |
| Compound Name: | N-[(furan-2-yl)methyl]-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C19 H27 N5 O3 |
| Smiles: | COCc1nnc2CCC3(CCN(CC3)C(NCc3ccco3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 0.6889 |
| logD: | 0.6887 |
| logSw: | -1.5715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.203 |
| InChI Key: | ROZPQGKPFDZNGX-UHFFFAOYSA-N |