857493-90-4
Product Name:
methyl 2-[[2-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Formula:
C22H21N5O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 515.6 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 515.09332575 g/mol |
| Monoisotopic Mass | 515.09332575 g/mol |
| Topological Polar Surface Area | 209 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 901 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |