42076-13-1
Product Name:
2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Formula:
C16H14N2OS2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 314.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 314.05475542 g/mol |
| Monoisotopic Mass | 314.05475542 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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 |