714228-31-6
Product Name:
4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Formula:
C25H22N4O4S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 506.6 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 506.10824754 g/mol |
| Monoisotopic Mass | 506.10824754 g/mol |
| Topological Polar Surface Area | 151 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 1120 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |