3-(3,5-dimethylphenyl)-7-[(4-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-7-[(4-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(3,5-dimethylphenyl)-7-[(4-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0189 |
| Compound Name: | 3-(3,5-dimethylphenyl)-7-[(4-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1CN=C2N(C1)C(/C(=C/c1ccc(cc1)[N+]([O-])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3609 |
| logD: | 4.9977 |
| logSw: | -5.3442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.888 |
| InChI Key: | XTKGJKNETRIGSN-UHFFFAOYSA-N |