2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | F235-1438 |
| Compound Name: | 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(CSc1c(C#N)cc2CCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3433 |
| logD: | 3.3433 |
| logSw: | -3.567 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.873 |
| InChI Key: | ZSONPWYIKMWNLF-UHFFFAOYSA-N |