317377-60-9
Product Name:
N-[3A,11C-DIHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOL-1(4H)-YLCARBOTHIOYL]BENZENECARBOXAMIDE
Formula:
C22H18N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 390.10381361 g/mol |
| Monoisotopic Mass | 390.10381361 g/mol |
| Topological Polar Surface Area | 82.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 609 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |