439093-92-2
Product Name:
2-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIMETHOXY-3-[3-(TRIFLUOROMETHYL)BENZYL]-4(3H)-QUINAZOLINIMINE
Formula:
C25H21ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 520.0 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 519.0995103 g/mol |
| Monoisotopic Mass | 519.0995103 g/mol |
| Topological Polar Surface Area | 83.2 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 763 |
| 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 |