N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[(5-methoxy-1H-indol-3-yl)methylidene]-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[(5-methoxy-1H-indol-3-yl)methylidene]-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl}sulfanyl)acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[(5-methoxy-1H-indol-3-yl)methylidene]-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-9889 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[(5-methoxy-1H-indol-3-yl)methylidene]-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl}sulfanyl)acetamide |
| Molecular Weight: | 540.55 |
| Molecular Formula: | C28 H20 N4 O6 S |
| Smiles: | Cc1cc2/C(=C\c3c[nH]c4ccc(cc34)OC)OC(c2c(n1)SCC(Nc1cc2c(cc1C#N)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1373 |
| logD: | 4.1203 |
| logSw: | -4.445 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.373 |
| InChI Key: | AGCCSEPRHUCNLF-UHFFFAOYSA-N |