431891-33-7
Product Name:
4-(3-bromophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Formula:
C18H14BrF2N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.3 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 437.00090 g/mol |
| Monoisotopic Mass | 437.00090 g/mol |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 603 |
| 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 |