N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[4-(octyloxy)phenyl]prop-2-enamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[4-(octyloxy)phenyl]prop-2-enamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[4-(octyloxy)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | 0978-8420 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[4-(octyloxy)phenyl]prop-2-enamide |
| Molecular Weight: | 419.61 |
| Molecular Formula: | C21 H29 N3 O2 S2 |
| Smiles: | CCCCCCCCOc1ccc(/C=C/C(Nc2nnc(SCC)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.6897 |
| logD: | 7.6867 |
| logSw: | -5.6789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.44 |
| InChI Key: | KBJKFZIPWSZZRV-UHFFFAOYSA-N |