3,3-dimethyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,3-dimethyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
3,3-dimethyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 6085-0128 |
| Compound Name: | 3,3-dimethyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc(c2C#N)SCC(c1ccccc1)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8666 |
| logD: | 4.8666 |
| logSw: | -4.8387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.386 |
| InChI Key: | VSIQRRPVGRMJLL-UHFFFAOYSA-N |