321522-14-9
Product Name:
7-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5-[(E)-2-PHENYLETHENYL]TETRAHYDROPYRROLO[3',4':3,4]PYRROLO[1,2-C][1,3]THIAZOLE-6,8(1H,7H)-DIONE
Formula:
C24H22ClF3N4O2S
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 523.0 g/mol |
---|---|
XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 6 |
Exact Mass | 522.1104093 g/mol |
Monoisotopic Mass | 522.1104093 g/mol |
Topological Polar Surface Area | 90.8 Ų |
Heavy Atom Count | 35 |
Formal Charge | 0 |
Complexity | 840 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |