7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 4268-0087 |
| Compound Name: | 7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 356.36 |
| Molecular Formula: | C16 H12 N4 O4 S |
| Smiles: | C1N=C2N(CN1c1cccc(c1)[N+]([O-])=O)C(/C(=C/c1ccco1)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5629 |
| logD: | 3.5574 |
| logSw: | -3.7528 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.636 |
| InChI Key: | BMOXVWBWAJILBX-UHFFFAOYSA-N |