ethyl 5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
ethyl 5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Compound characteristics
| Compound ID: | 8006-7576 |
| Compound Name: | ethyl 5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | CCOC(C1=NN(/C(=N/c2cccc3ccccc23)S1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.253 |
| logD: | 5.253 |
| logSw: | -5.9868 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.628 |
| InChI Key: | MFZSXKLVZZRZOK-UHFFFAOYSA-N |