3,3-dimethyl-6-(pentylsulfanyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,3-dimethyl-6-(pentylsulfanyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
3,3-dimethyl-6-(pentylsulfanyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 6085-0123 |
| Compound Name: | 3,3-dimethyl-6-(pentylsulfanyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 359.53 |
| Molecular Formula: | C20 H29 N3 O S |
| Smiles: | CCCCCSc1c(C#N)c2CC(C)(C)OCc2c(n1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0896 |
| logD: | 6.0896 |
| logSw: | -5.3085 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.411 |
| InChI Key: | NMUFYBPHRVCYLF-UHFFFAOYSA-N |