865660-39-5
Product Name:
METHYL 6-AMINO-5-CYANO-4-(4-CYANOPHENYL)-2-(2-METHOXY-2-OXOETHYL)-4H-PYRAN-3-CARBOXYLATE
Formula:
C18H15N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 353.3 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 353.10117059 g/mol |
| Monoisotopic Mass | 353.10117059 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 756 |
| 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 |