2-amino-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Chemical Structure Depiction of
2-amino-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
2-amino-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Compound characteristics
| Compound ID: | 5128-0760 |
| Compound Name: | 2-amino-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C21 H16 N4 O3 |
| Smiles: | CC1/C(=C/c2cc(c3c(c2)OCO3)OC)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.349 |
| logD: | 3.349 |
| logSw: | -3.5954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.97 |
| InChI Key: | FLOQSBGFOSTNJS-UHFFFAOYSA-N |