1-(4-methoxybenzene-1-sulfonyl)-3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
1-(4-methoxybenzene-1-sulfonyl)-3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(4-methoxybenzene-1-sulfonyl)-3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0067 |
| Compound Name: | 1-(4-methoxybenzene-1-sulfonyl)-3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | Cc1nnc2CCC3(CCN(CC3)S(c3ccc(cc3)OC)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.662 |
| logD: | 1.6601 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.294 |
| InChI Key: | KKCYWBZBRJMILW-UHFFFAOYSA-N |