2'-benzyl-1-(2-fluorobenzoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
2'-benzyl-1-(2-fluorobenzoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-(2-fluorobenzoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0427 |
| Compound Name: | 2'-benzyl-1-(2-fluorobenzoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C25 H27 F N4 O2 |
| Smiles: | C1CC2(CCN(CC2)C(c2ccccc2F)=O)CCN2C1=NN(Cc1ccccc1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.4498 |
| logD: | 3.4498 |
| logSw: | -3.7044 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.893 |
| InChI Key: | BWFRPBSFOIYTBI-UHFFFAOYSA-N |