886500-94-3
Product Name:
(3-ALLYL-6,8-DIBROMO-4-OXO-3,4-DIHYDRO-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID
Formula:
C13H10Br2N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 434.10 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 433.87584 g/mol |
| Monoisotopic Mass | 431.87789 g/mol |
| Topological Polar Surface Area | 95.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 486 |
| 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 |