900894-13-5
Product Name:
2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Formula:
C16H16ClN7OS
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COMPUTED DESCRIPTORS
Molecular Weight | 389.9 g/mol |
---|---|
XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 389.0825570 g/mol |
Monoisotopic Mass | 389.0825570 g/mol |
Topological Polar Surface Area | 140 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 515 |
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 |