3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(4-methyl-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~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0564 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C24 H18 N4 O3 S |
| Smiles: | Cc1csc(NC(C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.59 |
| logD: | 3.13 |
| logSw: | -5.17 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.79 |
| InChI Key: | XPVWWCHICVDMRB-UHFFFAOYSA-N |