956709-20-9
Product Name:
propyl 6-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Formula:
C25H31N3O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 485.7 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 485.18068421 g/mol |
| Monoisotopic Mass | 485.18068421 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 875 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |