840499-13-0
Product Name:
4-(4-chlorophenyl)-1-(isopropylthio)-7-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Formula:
C21H21ClN4OS2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 445.0 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 444.0845313 g/mol |
| Monoisotopic Mass | 444.0845313 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 632 |
| 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 |