840471-40-1
Product Name:
1-(4-chlorophenyl)-2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
Formula:
C19H15ClN4OS3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 447.0 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.0096523 g/mol |
| Monoisotopic Mass | 446.0096523 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 594 |
| 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 |