2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-5-(pyridin-4-yl)-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-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | G856-6171 |
| Compound Name: | 2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | C1CN(CCC12OCCO2)CN1C(N(C(c2ccncc2)=N1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.1538 |
| logD: | 1.7642 |
| logSw: | -2.0637 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.518 |
| InChI Key: | ACSFLGPCMHVCGR-UHFFFAOYSA-N |