N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide
Chemical Structure Depiction of
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | 0978-8421 |
| Compound Name: | N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | CCCCCCCCOc1ccc(/C=C/C(Nc2nnc(C)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1739 |
| logD: | 6.1084 |
| logSw: | -5.2507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.885 |
| InChI Key: | SZSHEJBWNXXEPY-UHFFFAOYSA-N |