1-(4-fluorobenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
1-(4-fluorobenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(4-fluorobenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0244 |
| Compound Name: | 1-(4-fluorobenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C19 H25 F N4 O3 S |
| Smiles: | COCc1nnc2CCC3(CCN(CC3)S(c3ccc(cc3)F)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.5166 |
| logD: | 1.5163 |
| logSw: | -2.3454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.374 |
| InChI Key: | ZMHXJMSGJRAZRH-UHFFFAOYSA-N |