459150-56-2
Product Name:
ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Formula:
C23H23N5O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 417.5 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 417.18008961 g/mol |
| Monoisotopic Mass | 417.18008961 g/mol |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 924 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |