2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid
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![2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4709d39cd9ba4151868da7d1e4977f0b.png "2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid")
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid
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CAS No:
140926-49-4
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Formula:
C19H16F3N3O3S
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Chemical Name:
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid
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Synonyms:
3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid;DHOCF3BTPA;CHEMBL68580;Dhocf3BTPA;140926-49-4;3,4-Dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid;DTXSID10161494;BDBM50006471;[4-Oxo-3-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4,5,6,7,8-hexahydro-phthalazin-1-yl]-acetic acid;1-Phthalazineacetic acid, 3,4,5,6,7,8-hexahydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-;3-[(5-Trifluoromethyl-2-benzothiazolyl)methyl]-3,4,5,6,7,8-hexahydro-4-oxophthalazine-1-acetic acid
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CAS No:
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid Basic Attributes
423.4 g/mol
423.08644704 g/mol
DTXSID10161494
Drug Information
3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid
Computed Properties
Molecular Weight:423.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:423.08644704
Monoisotopic Mass:423.08644704
Topological Polar Surface Area:111
Heavy Atom Count:29
Complexity:768
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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