551899-66-2
Product Name:
2-CHLORO-N-(3-CYANO-6-ETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)ACETAMIDE
Formula:
C13H15ClN2OS
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 282.79 g/mol |
---|---|
XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 282.0593620 g/mol |
Monoisotopic Mass | 282.0593620 g/mol |
Topological Polar Surface Area | 81.1 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 367 |
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 |