2-(4-methoxyphenyl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
2-(4-methoxyphenyl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S895-1141 |
| Compound Name: | 2-(4-methoxyphenyl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H32 N4 O2 |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(Cc3ccc(cc3)OC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.6009 |
| logD: | 2.5811 |
| logSw: | -2.7013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.927 |
| InChI Key: | WQQPOOTUYUYGHC-UHFFFAOYSA-N |