331839-38-4
Product Name:
3-(2,4-DICHLOROPHENYL)-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODEC-2(7)-ENE-5-THIONE
Formula:
C15H15Cl2N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 340.3 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 339.0363741 g/mol |
| Monoisotopic Mass | 339.0363741 g/mol |
| Topological Polar Surface Area | 59.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 487 |
| 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 |