10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID
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![10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1277275580714e49b1931a1af2b46dda.png "10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID")
10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID
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CAS No:
321998-80-5
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Formula:
C19H16ClF3N4O5
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Chemical Name:
10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID
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Synonyms:
10-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxylic acid;10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid;KS-00003EOK;AKOS005103336;8L-943
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CAS No:
10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID Basic Attributes
472.8
472.0761318
Computed Properties
Molecular Weight:472.8
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:472.0761318
Monoisotopic Mass:472.0761318
Topological Polar Surface Area:121
Heavy Atom Count:32
Complexity:886
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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