3'-ethyl-N-(2-phenylethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Chemical Structure Depiction of
3'-ethyl-N-(2-phenylethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
3'-ethyl-N-(2-phenylethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
Compound characteristics
| Compound ID: | S895-0873 |
| Compound Name: | 3'-ethyl-N-(2-phenylethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(NCCc3ccccc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.1771 |
| logD: | 2.1709 |
| logSw: | -2.4968 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.872 |
| InChI Key: | JAZOWRITTGZJJT-UHFFFAOYSA-N |