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1. Bisbentiamine
1. Bisbentiamine
2. 2667-89-2
3. Ncgc00183879-01
4. Beston (tn)
5. Bisbentiamine (jan/inn)
6. Benzoylthiamindisulfid
7. Dsstox_cid_28512
8. Dsstox_rid_82784
9. Dsstox_gsid_48586
10. Schembl25228
11. Chembl2105814
12. Tox21_112915
13. Zinc85537006
14. Akos025310180
15. Cas-2667-89-2
16. D01284
17. 667b892
18. A818555
19. [(e)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-benzoyloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] Benzoate;bisbentiamine
Molecular Weight | 770.9 g/mol |
---|---|
Molecular Formula | C38H42N8O6S2 |
XLogP3 | 4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 14 |
Rotatable Bond Count | 19 |
Exact Mass | 770.26687344 g/mol |
Monoisotopic Mass | 770.26687344 g/mol |
Topological Polar Surface Area | 247 Ų |
Heavy Atom Count | 54 |
Formal Charge | 0 |
Complexity | 1200 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently Bonded Unit Count | 1 |