477866-12-9
Product Name:
ETHYL 6-[(4-CHLOROBENZYL)AMINO]-5-CYANO-2-PHENYLNICOTINATE
Formula:
C22H18ClN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.8 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 391.1087545 g/mol |
| Monoisotopic Mass | 391.1087545 g/mol |
| Topological Polar Surface Area | 75 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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 |