6-acetyl-2-[(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-[(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-[(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: | 8008-6173 |
| Compound Name: | 6-acetyl-2-[(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: | 448.5 |
| Molecular Formula: | C24 H20 N2 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1ccc3c(c1)OCO3)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7502 |
| logD: | 3.7502 |
| logSw: | -4.0579 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.48 |
| InChI Key: | RFIVYKZVAUBHIB-JOCHJYFZSA-N |