N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 0978-8372 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C13 H12 N4 O3 S2 |
| Smiles: | CCSc1nnc(NC(/C=C/c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1352 |
| logD: | 4.1322 |
| logSw: | -4.1706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.404 |
| InChI Key: | PUFZCIANMDBMEE-UHFFFAOYSA-N |