3-phenyl-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
Chemical Structure Depiction of
3-phenyl-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
3-phenyl-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S895-1221 |
| Compound Name: | 3-phenyl-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one |
| Molecular Weight: | 380.53 |
| Molecular Formula: | C23 H32 N4 O |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(CCc3ccccc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.9272 |
| logD: | 2.9075 |
| logSw: | -3.2003 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.383 |
| InChI Key: | NYCVQTXPBGIKLF-UHFFFAOYSA-N |