N-{5-[4-(heptyloxy)phenyl]-1,3,4-thiadiazol-2-yl}-3-(4-heptylphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[4-(heptyloxy)phenyl]-1,3,4-thiadiazol-2-yl}-3-(4-heptylphenyl)prop-2-enamide
N-{5-[4-(heptyloxy)phenyl]-1,3,4-thiadiazol-2-yl}-3-(4-heptylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 1221-0048 |
| Compound Name: | N-{5-[4-(heptyloxy)phenyl]-1,3,4-thiadiazol-2-yl}-3-(4-heptylphenyl)prop-2-enamide |
| Molecular Weight: | 519.75 |
| Molecular Formula: | C31 H41 N3 O2 S |
| Smiles: | CCCCCCCc1ccc(/C=C/C(Nc2nnc(c3ccc(cc3)OCCCCCCC)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 11.0766 |
| logD: | 11.0764 |
| logSw: | -5.7494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.807 |
| InChI Key: | UGGNBDYWAGHKSD-UHFFFAOYSA-N |