6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Compound characteristics
| Compound ID: | 8015-6221 |
| Compound Name: | 6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C19 H20 N4 O S2 |
| Smiles: | Cc1ccc(cc1)SCc1c2c(n[nH]1)OC(=C(C#N)C21CCSCC1)N |
| Stereo: | ACHIRAL |
| logP: | 3.362 |
| logD: | 3.362 |
| logSw: | -3.8251 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.16 |
| InChI Key: | OYSSCFVSXZJISP-UHFFFAOYSA-N |