3-(2H-1,3-benzodioxol-5-yl)-7-[(3-bromophenyl)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-bromophenyl)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-bromophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0213 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-7-[(3-bromophenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 444.3 |
| Molecular Formula: | C19 H14 Br N3 O3 S |
| Smiles: | C1N=C2N(CN1c1ccc3c(c1)OCO3)C(/C(=C/c1cccc(c1)[Br])S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1653 |
| logD: | 5.1458 |
| logSw: | -5.4388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.622 |
| InChI Key: | KKNRXCZNKSPWPW-UHFFFAOYSA-N |