475576-83-1
Product Name:
4H-1-Benzopyran-3-carbonitrile, 2,7,8-triaMino-4-(3-broMo-4,5-diMethoxyphenyl)-
Formula:
C18H17BrN4O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 417.3 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.04840 g/mol |
| Monoisotopic Mass | 416.04840 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 607 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |