2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-4073 |
| Compound Name: | 2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CN1C(c2ccccc2)=NN(CN2CCC3(CC2)OCCO3)C1=S |
| Stereo: | ACHIRAL |
| logP: | 2.0552 |
| logD: | 0.2584 |
| logSw: | -2.2044 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.739 |
| InChI Key: | ZOIYTCKEDVCVNH-UHFFFAOYSA-N |