3-(3-bromophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(3-bromophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(3-bromophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0009 |
| Compound Name: | 3-(3-bromophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 490.37 |
| Molecular Formula: | C21 H20 Br N3 O4 S |
| Smiles: | COc1cc(/C=C2/C(N3CN(CN=C3S2)c2cccc(c2)[Br])=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9698 |
| logD: | 4.9578 |
| logSw: | -4.7302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.484 |
| InChI Key: | SBMBTRLHGVOJFG-UHFFFAOYSA-N |