1-(benzenesulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
1-(benzenesulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(benzenesulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0913 |
| Compound Name: | 1-(benzenesulfonyl)-3'-(2-methoxyethyl)-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: | COCCc1nnc2CCC3(CCN(CC3)S(c3ccccc3)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.5442 |
| logD: | 1.5439 |
| logSw: | -2.1503 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.292 |
| InChI Key: | NTKVUAQHYWLXCE-UHFFFAOYSA-N |