phenyl[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Chemical Structure Depiction of
phenyl[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
phenyl[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Compound characteristics
| Compound ID: | S895-1242 |
| Compound Name: | phenyl[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(c3ccccc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.2341 |
| logD: | 2.2144 |
| logSw: | -2.1764 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.911 |
| InChI Key: | HRAAQWRWQFGKTM-UHFFFAOYSA-N |