339109-20-5
Product Name:
4-(3,5-DIOXO-2-PHENYL-1,4-THIAZINAN-4-YL)BENZENECARBONITRILE
Formula:
C17H12N2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 308.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.06194880 g/mol |
| Monoisotopic Mass | 308.06194880 g/mol |
| Topological Polar Surface Area | 86.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 484 |
| 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 |