1-{5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethan-1-one
1-{5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8006-8976 |
| Compound Name: | 1-{5-[(naphthalen-1-yl)imino]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethan-1-one |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C20 H14 N4 O3 S |
| Smiles: | CC(C1=NN(/C(=N/c2cccc3ccccc23)S1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6517 |
| logD: | 4.6517 |
| logSw: | -5.0974 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.701 |
| InChI Key: | FNUCXFRJFGIQPQ-UHFFFAOYSA-N |