866038-37-1
Product Name:
4-(2-([(4-CHLORO-2-METHYLANILINO)CARBOTHIOYL]AMINO)ETHYL)-N-(4-CHLORO-2-METHYLPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
Formula:
C22H27Cl2N5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 496.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 495.1084936 g/mol |
| Monoisotopic Mass | 495.1084936 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 603 |
| 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 |