3-(2H-1,3-benzodioxol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1720 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C13 H11 N3 O3 S |
| Smiles: | Cc1nnc(NC(/C=C/c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7078 |
| logD: | 2.6424 |
| logSw: | -3.2043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.583 |
| InChI Key: | IJEHTDDWOZNLRV-UHFFFAOYSA-N |