7-[(4-nitrophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
7-[(4-nitrophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-[(4-nitrophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0039 |
| Compound Name: | 7-[(4-nitrophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C21 H20 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)N1CN=C2N(C1)C(/C(=C/c1ccc(cc1)[N+]([O-])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0872 |
| logD: | 4.0725 |
| logSw: | -4.3259 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.866 |
| InChI Key: | HCUMERPJQDFFLG-UHFFFAOYSA-N |