3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | D396-0160 |
| Compound Name: | 3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc(c2C#N)SCC(N1CCCC1)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1463 |
| logD: | 3.1463 |
| logSw: | -3.1011 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.44 |
| InChI Key: | GRJMJRYJQUWNSS-UHFFFAOYSA-N |