5-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Chemical Structure Depiction of
5-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
5-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Compound characteristics
| Compound ID: | G857-1851 |
| Compound Name: | 5-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C22 H21 N5 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(cc1)[N+]([O-])=O)c1c(n2c(nc(c3ccco3)n2)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9232 |
| logD: | 2.9232 |
| logSw: | -3.2149 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.29 |
| InChI Key: | CEQWVWSXZFTIPO-QGZVFWFLSA-N |