1-(3-methoxybenzene-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-(3-methoxybenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(3-methoxybenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0269 |
| Compound Name: | 1-(3-methoxybenzene-1-sulfonyl)-3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | COCc1nnc2CCC3(CCN(CC3)S(c3cccc(c3)OC)(=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.4672 |
| logD: | 1.4669 |
| logSw: | -2.2664 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.917 |
| InChI Key: | SYBQSFSWMHRNQR-UHFFFAOYSA-N |