1-(3-fluoro-4-methoxybenzoyl)-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-(3-fluoro-4-methoxybenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(3-fluoro-4-methoxybenzoyl)-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: | S626-0328 |
| Compound Name: | 1-(3-fluoro-4-methoxybenzoyl)-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: | 432.49 |
| Molecular Formula: | C22 H29 F N4 O4 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(c1ccc(c(c1)F)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7133 |
| logD: | 1.7133 |
| logSw: | -2.0309 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.115 |
| InChI Key: | MFSHERYYJZNPEP-UHFFFAOYSA-N |