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
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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 |