746605-11-8
Product Name:
Pyrrolo[2,1-b]quinazoline-6-carboxylic acid, 1,2,3,9-tetrahydro-3-[[4-methoxy-3-(phenylmethoxy)phenyl]methylene]-9-oxo-
Formula:
C27H22N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 454.15287181 g/mol |
| Monoisotopic Mass | 454.15287181 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 833 |
| 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 |