477854-57-2
Product Name:
2-PHENYL-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-5-PYRIMIDINECARBOXYLIC ACID
Formula:
C18H11F3N2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 376.4 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 376.04933326 g/mol |
| Monoisotopic Mass | 376.04933326 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 486 |
| 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 |