1022042-35-8
Product Name:
4-(((4-(2-((((4-NITRILOPHENYL)AMINO)THIOXOMETHYL)AMINO)ETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZENECARBONITRILE
Formula:
C22H23N7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.6 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 449.14563611 g/mol |
| Monoisotopic Mass | 449.14563611 g/mol |
| Topological Polar Surface Area | 154 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 700 |
| 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 |