(1RS)-6'-amino-3'-methyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Chemical Structure Depiction of
(1RS)-6'-amino-3'-methyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
(1RS)-6'-amino-3'-methyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Compound characteristics
| Compound ID: | 8018-9224 |
| Compound Name: | (1RS)-6'-amino-3'-methyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | Cc1c2c(n[nH]1)OC(=C(C#N)C21CC[C@H]2CO[C@@H]1O2)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.226 |
| logD: | 0.226 |
| logSw: | -0.8931 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.738 |
| InChI Key: | BMRWNUGNONREHY-NNIXAHLOSA-N |