585559-43-9
Product Name:
ethyl 4-((4-allyl-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)amino)benzoate
Formula:
C22H21N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 435.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 435.13651072 g/mol |
| Monoisotopic Mass | 435.13651072 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 715 |
| 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 |