3-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(2H-1,3-benzodioxol-5-yl)-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: | 4268-0033 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C19 H14 N4 O5 S |
| Smiles: | C1N=C2N(CN1c1ccc3c(c1)OCO3)C(/C(=C/c1cccc(c1)[N+]([O-])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1914 |
| logD: | 4.1719 |
| logSw: | -4.4728 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.003 |
| InChI Key: | AGJNEPGMFRNYFO-UHFFFAOYSA-N |