3-(2H-1,3-benzodioxol-5-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3391 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CCC(CC)c1nnc(NC(/C=C/c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7789 |
| logD: | 4.719 |
| logSw: | -4.4846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.777 |
| InChI Key: | QJUKDHWWFGKZEB-UHFFFAOYSA-N |