5-amino-7-[3-bromo-4-(dimethylamino)phenyl]-2-{[3-bromo-4-(dimethylamino)phenyl]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-(dimethylamino)phenyl]-2-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-[3-bromo-4-(dimethylamino)phenyl]-2-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Compound characteristics
| Compound ID: | 4377-0067 |
| Compound Name: | 5-amino-7-[3-bromo-4-(dimethylamino)phenyl]-2-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| Molecular Weight: | 626.37 |
| Molecular Formula: | C26 H22 Br2 N6 O S |
| Smiles: | CN(C)c1ccc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2ccc(c(c2)[Br])N(C)C)N)=O)cc1[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7827 |
| logD: | 4.7826 |
| logSw: | -4.7948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.41 |
| InChI Key: | IJMSNDDLCWOOHW-QHCPKHFHSA-N |