3'-(methoxymethyl)-1-(phenylmethanesulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
3'-(methoxymethyl)-1-(phenylmethanesulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
3'-(methoxymethyl)-1-(phenylmethanesulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0236 |
| Compound Name: | 3'-(methoxymethyl)-1-(phenylmethanesulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | COCc1nnc2CCC3(CCN(CC3)S(Cc3ccccc3)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.087 |
| logD: | 1.0867 |
| logSw: | -1.9593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.268 |
| InChI Key: | HBLPPDQDTSADQJ-UHFFFAOYSA-N |