332374-03-5
Product Name:
3-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]propanoic acid
Formula:
C20H17BrN2O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 461.3 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 460.02700 g/mol |
| Monoisotopic Mass | 460.02700 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 655 |
| 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 |