5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
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![5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/782264bd3a9a4bce986192d49dd29d09.png "5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE")
5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
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CAS No:
317822-46-1
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Formula:
C22H19ClF3N7O4
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Chemical Name:
5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
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Synonyms:
5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE;5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
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CAS No:
5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-3-(3-METHYL-5-OXO-1-PHENYL-1,2,4-TRIAZOLAN-3-YL)-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE Basic Attributes
537.88
537.114
Computed Properties
Molecular Weight:537.9
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:537.1139143
Monoisotopic Mass:537.1139143
Topological Polar Surface Area:128
Heavy Atom Count:37
Complexity:978
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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