893955-23-2
Product Name:
ethyl 4-(3-isobutyl-1-methyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl)benzoate
Formula:
C22H27N5O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 425.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 425.20630436 g/mol |
| Monoisotopic Mass | 425.20630436 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 708 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |