339106-36-4
Product Name:
METHYL 2-[2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]-1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLATE
Formula:
C18H12F3N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.07290498 g/mol |
| Monoisotopic Mass | 407.07290498 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 706 |
| 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 |