860644-69-5
Product Name:
3-(2,5-DIMETHOXYPHENYL)-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODEC-2(7)-ENE-5-THIONE
Formula:
C17H21N3O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 331.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 331.13544809 g/mol |
| Monoisotopic Mass | 331.13544809 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 |