478260-23-0
Product Name:
ETHYL 6-AMINO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-5-CYANO-4-(4-FLUOROPHENYL)-4H-PYRAN-3-CARBOXYLATE
Formula:
C22H18ClFN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.9 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 444.0710695 g/mol |
| Monoisotopic Mass | 444.0710695 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 747 |
| 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 |