7-[(3-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
7-[(3-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-[(3-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0207 |
| Compound Name: | 7-[(3-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | COc1cccc(/C=C2/C(N3CN(CN=C3S2)c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4865 |
| logD: | 4.4607 |
| logSw: | -4.5185 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.432 |
| InChI Key: | VQJQIHCZKYNZRV-UHFFFAOYSA-N |