339106-28-4
Product Name:
Methyl 2-[methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
Formula:
C19H14F3N3O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 421.3 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 421.08855504 g/mol |
| Monoisotopic Mass | 421.08855504 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 736 |
| 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 |