N-(2-chlorophenyl)-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-(2-chlorophenyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide
N-(2-chlorophenyl)-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: | S895-1069 |
| Compound Name: | N-(2-chlorophenyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carboxamide |
| Molecular Weight: | 417.94 |
| Molecular Formula: | C21 H28 Cl N5 O2 |
| Smiles: | COCCc1nnc2CCC3(CCN(CC3)C(Nc3ccccc3[Cl])=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.9993 |
| logD: | 1.9989 |
| logSw: | -2.5638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.353 |
| InChI Key: | KBBHVSRWGFIFKD-UHFFFAOYSA-N |