477853-78-4
Product Name:
1-[3A,11C-DIHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOL-1(4H)-YL]-2-[(4-CHLOROPHENYL)SULFANYL]-1-ETHANONE
Formula:
C22H18ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.9 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 411.0695923 g/mol |
| Monoisotopic Mass | 411.0695923 g/mol |
| Topological Polar Surface Area | 64.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 570 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |