3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0411 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C23 H16 N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)n1cc(/C=C(/C#N)C(Nc2nccs2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2 |
| logD: | 3.67 |
| logSw: | -4.98 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.01 |
| InChI Key: | NEOMLXGURDJGKT-UHFFFAOYSA-N |