6-amino-3-methyl-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-methyl-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
6-amino-3-methyl-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Compound characteristics
| Compound ID: | 8015-6573 |
| Compound Name: | 6-amino-3-methyl-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile |
| Molecular Weight: | 262.33 |
| Molecular Formula: | C12 H14 N4 O S |
| Smiles: | Cc1c2c(n[nH]1)OC(=C(C#N)C21CCSCC1)N |
| Stereo: | ACHIRAL |
| logP: | 1.2072 |
| logD: | 1.2072 |
| logSw: | -1.4791 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.743 |
| InChI Key: | QEKHDXCAENVULX-UHFFFAOYSA-N |