6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 8009-2351 |
| Compound Name: | 6-acetyl-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 527.39 |
| Molecular Formula: | C24 H19 Br N2 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1cc3c(cc1[Br])OCO3)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.292 |
| logD: | 4.292 |
| logSw: | -4.4399 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.48 |
| InChI Key: | AQGOGICAGOUIGS-QFIPXVFZSA-N |