6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 8008-7859 |
| Compound Name: | 6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 540.43 |
| Molecular Formula: | C25 H22 Br N3 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)N(C)C)N2C(=N1)SC(=C\c1cc3c(cc1[Br])OCO3)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3996 |
| logD: | 4.3853 |
| logSw: | -4.4085 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.741 |
| InChI Key: | MGCIJYABJXVAAN-QHCPKHFHSA-N |