1446263-39-3
Product Name:
1H-Purine-2,6-dione, 8-[(3R)-3-aMino-1-piperidinyl]-7-[(2E)-3-broMo-2-buten-1-yl]-3,7-dihydro-3-Methyl-1-[(4-Methyl-2-quinazolinyl)Methyl]-
Formula:
C25H29BrN8O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 553.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 552.15968 g/mol |
| Monoisotopic Mass | 552.15968 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 873 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |