1-(3,4-dimethoxybenzene-1-sulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
1-(3,4-dimethoxybenzene-1-sulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(3,4-dimethoxybenzene-1-sulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0976 |
| Compound Name: | 1-(3,4-dimethoxybenzene-1-sulfonyl)-3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C22 H32 N4 O5 S |
| Smiles: | COCCc1nnc2CCC3(CCN(CC3)S(c3ccc(c(c3)OC)OC)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.3355 |
| logD: | 1.3352 |
| logSw: | -2.304 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.553 |
| InChI Key: | PJLNQADFBZKSSK-UHFFFAOYSA-N |