317822-47-2
Product Name:
5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-3-[1-(2,4-DICHLOROPHENYL)-3-METHYL-5-OXO-1,2,4-TRIAZOLAN-3-YL]-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
Formula:
C21H15Cl3F3N7O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 592.7 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 591.020320 g/mol |
| Monoisotopic Mass | 591.020320 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1050 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |