3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0833 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 521.57 |
| Molecular Formula: | C24 H19 N5 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4 |
| logD: | 1.22 |
| logSw: | -4.95 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.14 |
| InChI Key: | JZDNOYKAYMLEPJ-UHFFFAOYSA-N |