3-(3,4-dimethoxyphenyl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(3,4-dimethoxyphenyl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0037 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)N1CN=C2N(C1)C(/C(=C/c1cccc(c1)[N+]([O-])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8932 |
| logD: | 3.8737 |
| logSw: | -4.0616 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.148 |
| InChI Key: | SHEDAINFDNPORO-UHFFFAOYSA-N |