4-ethyl-2-{[2-oxo-2-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)ethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
4-ethyl-2-{[2-oxo-2-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)ethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
4-ethyl-2-{[2-oxo-2-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)ethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-4246 |
| Compound Name: | 4-ethyl-2-{[2-oxo-2-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)ethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C26 H20 N2 O3 S |
| Smiles: | CCc1c2CCCc2nc(c1C#N)SCC(C1=Cc2c(ccc3ccccc23)OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5003 |
| logD: | 5.5003 |
| logSw: | -6.4976 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.455 |
| InChI Key: | HTMCNTGXYJYTCE-UHFFFAOYSA-N |