methyl (6-amino-5-cyano-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thian]-3-yl)acetate
Chemical Structure Depiction of
methyl (6-amino-5-cyano-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thian]-3-yl)acetate
methyl (6-amino-5-cyano-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thian]-3-yl)acetate
Compound characteristics
| Compound ID: | 8015-6222 |
| Compound Name: | methyl (6-amino-5-cyano-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thian]-3-yl)acetate |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | COC(Cc1c2c(n[nH]1)OC(=C(C#N)C21CCSCC1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5481 |
| logD: | 0.5481 |
| logSw: | -1.1798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.011 |
| InChI Key: | UMJHNBLPUFYKMD-UHFFFAOYSA-N |