338966-46-4
Product Name:
7-ANILINO-3-(3,4-DICHLOROPHENYL)-5-MORPHOLINO-1,4-THIAZEPINE-6-CARBONITRILE
Formula:
C22H18Cl2N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.4 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.0578378 g/mol |
| Monoisotopic Mass | 456.0578378 g/mol |
| Topological Polar Surface Area | 86 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 762 |
| 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 |