1-(2-fluorobenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
1-(2-fluorobenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(2-fluorobenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
Compound ID: | S626-0317 |
Compound Name: | 1-(2-fluorobenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
Molecular Weight: | 402.47 |
Molecular Formula: | C21 H27 F N4 O3 |
Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(c1ccccc1F)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8223 |
logD: | 1.8223 |
logSw: | -2.2724 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.485 |
InChI Key: | YUTZIVCYASIMHH-UHFFFAOYSA-N |