7-[(3-bromophenyl)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-bromophenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-[(3-bromophenyl)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: | 5521-0208 |
| Compound Name: | 7-[(3-bromophenyl)methylidene]-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 445.29 |
| Molecular Formula: | C18 H13 Br N4 O3 S |
| Smiles: | C1N=C2N(CN1c1ccc(cc1)[N+]([O-])=O)C(/C(=C/c1cccc(c1)[Br])S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3126 |
| logD: | 5.2868 |
| logSw: | -5.6291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.888 |
| InChI Key: | AWWLDQSPTDLRIW-UHFFFAOYSA-N |