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X
1. Mdl 100,173
2. Mdl 100173
3. Mdl 101,628
4. Mdl 101628
5. Mdl-100,173
6. Mdl-100173
7. Mdl-101,628
8. Mdl-101628
1. Mdl-101628
2. Mdl 101628
3. Mdl-101,628
4. 142589-11-5
5. Pyrido(2,1-a)(2)benzazepine-4-carboxylic Acid, 1,2,3,4,6,7,8,12b-octahydro-7-(((2r)-2-mercapto-1-oxo-3-phenylpropyl)amino)-6-oxo-, (4s,7s,12br)-
Molecular Weight | 438.5 g/mol |
---|---|
Molecular Formula | C24H26N2O4S |
XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 438.16132849 g/mol |
Monoisotopic Mass | 438.16132849 g/mol |
Topological Polar Surface Area | 87.7 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 681 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 4 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently Bonded Unit Count | 1 |