Agn-PC-0kaj8L
3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AGN-PC-0KAJ8L|BAS 03426048|3-({3-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one|3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C23H20N4O5S2 |
|---|---|
| Molecular Weight | 496.08752 g/mol |
| LogP | 2.53722 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.08752 |
| Monoisotopic Mass | 496.08752 |
| Heavy Atoms | 34 |
| Complexity | 1418.4713 |
Chemical Identifiers
| CAS Number | 4657-79-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCCO |
Product Overview
Agn-PC-0kaj8L (CAS 4657-79-8), with molecular formula C23H20N4O5S2 and molecular weight 496.08752 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.