2-(4-fluorophenoxy)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S895-0261 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C21 H27 F N4 O3 |
| Smiles: | COCc1nnc2CCC3(CCN(CC3)C(COc3ccc(cc3)F)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 0.7607 |
| logD: | 0.7604 |
| logSw: | -1.3066 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.283 |
| InChI Key: | NUZDUZLXNYQKTR-UHFFFAOYSA-N |