5-amino-7-(3-bromo-4,5-dimethoxyphenyl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Chemical Structure Depiction of
5-amino-7-(3-bromo-4,5-dimethoxyphenyl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-(3-bromo-4,5-dimethoxyphenyl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Compound characteristics
| Compound ID: | 4377-0074 |
| Compound Name: | 5-amino-7-(3-bromo-4,5-dimethoxyphenyl)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| Molecular Weight: | 660.34 |
| Molecular Formula: | C26 H20 Br2 N4 O5 S |
| Smiles: | COc1cc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2cc(c(c(c2)[Br])OC)OC)N)=O)cc(c1OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.478 |
| logD: | 4.4779 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.097 |
| InChI Key: | UCYIUXFBHREHCA-NRFANRHFSA-N |