3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 8015-6429 |
| Compound Name: | 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | CCOc1ccc(Cc2nnc(NC(C(=C/c3ccc4c(c3)OCO4)\C#N)=O)s2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | 2.97 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 186.44 |
| InChI Key: | AULRDCHYMQTSCN-UHFFFAOYSA-N |