5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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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AMINO]-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/20220812/cdc7e31de5ff445f8c758480f3d449cc.png "5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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:
351858-44-1
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Formula:
C21H17ClF3N7O4
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Chemical Name:
5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-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-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-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
523.85
523.098
Computed Properties
Molecular Weight:523.9
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:523.0982642
Monoisotopic Mass:523.0982642
Topological Polar Surface Area:120
Heavy Atom Count:36
Complexity:978
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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