111853-34-0
Product Name:
ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Formula:
C18H18N4O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 402.09979086 g/mol |
| Monoisotopic Mass | 402.09979086 g/mol |
| Topological Polar Surface Area | 176 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 777 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |