6'-amino-3'-propyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Chemical Structure Depiction of
6'-amino-3'-propyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
6'-amino-3'-propyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Compound characteristics
| Compound ID: | 8019-5712 |
| Compound Name: | 6'-amino-3'-propyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CCCc1c2c(n[nH]1)OC(=C(C#N)C21CCC2COC1O2)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0134 |
| logD: | 1.0133 |
| logSw: | -1.3894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.427 |
| InChI Key: | OFMOODVUJLVUEI-UHFFFAOYSA-N |