306980-26-7
Product Name:
ETHYL 5-CYANO-6-([2-(METHOXYCARBONYL)PHENYL]SULFANYL)-2-PHENYLNICOTINATE
Formula:
C23H18N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 418.09872823 g/mol |
| Monoisotopic Mass | 418.09872823 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 642 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |