1-(2-ethylbenzene-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-(2-ethylbenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(2-ethylbenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0328 |
| Compound Name: | 1-(2-ethylbenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCc1ccccc1S(N1CCC2(CCc3nnc(COC)n3CC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1333 |
| logD: | 2.133 |
| logSw: | -2.2653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.374 |
| InChI Key: | LYQOGPNNBKOOQK-UHFFFAOYSA-N |