2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-dimethoxyanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-dimethoxyanilino)prop-2-enenitrile
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-dimethoxyanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3614 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-dimethoxyanilino)prop-2-enenitrile |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | COc1ccc(c(c1)OC)N/C=C(/C#N)c1nc(cs1)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.7621 |
| logD: | 4.7606 |
| logSw: | -4.5994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.95 |
| InChI Key: | XRZZKYKTFKBTEM-UHFFFAOYSA-N |