5-[(3,4-dimethylphenoxy)methyl]-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(3,4-dimethylphenoxy)methyl]-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(3,4-dimethylphenoxy)methyl]-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8009-9993 |
| Compound Name: | 5-[(3,4-dimethylphenoxy)methyl]-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)OCC1=NN(CN2CCC3(CC2)OCCO3)C(N1C)=S |
| Stereo: | ACHIRAL |
| logP: | 2.897 |
| logD: | -0.6403 |
| logSw: | -3.096 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.094 |
| InChI Key: | ZOUZOGOUNLSFQY-UHFFFAOYSA-N |