56615-08-8
Product Name:
2,5-Methano-5H-pyrimido[1,2-c][1,3,5]oxadiazepin-9(1H)-one, 2,3-dihydro-11-hydroxy-3-(hydroxymethyl)-, [2R-(2α,3β,5α,11S*)]- (9CI)
Formula:
C9H11N3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 225.20 g/mol |
|---|---|
| XLogP3 | -2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.07495584 g/mol |
| Monoisotopic Mass | 225.07495584 g/mol |
| Topological Polar Surface Area | 94.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 394 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |