2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(3-methoxyphenyl)-4-methyl-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]-5-(3-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(3-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8010-1118 |
| Compound Name: | 2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(3-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | CN1C(c2cccc(c2)OC)=NN(CN2CCC3(CC2)OCCO3)C1=S |
| Stereo: | ACHIRAL |
| logP: | 2.1966 |
| logD: | 0.3998 |
| logSw: | -2.4484 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.283 |
| InChI Key: | DTYKBZSVKPPKMW-UHFFFAOYSA-N |