4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid
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![4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f0ca4e36adef4362a463d8dbb3af0677.png "4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid")
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid
structure -
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CAS No:
677765-22-9
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Formula:
C23H17ClN2O3S2
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Chemical Name:
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid
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Synonyms:
4-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid;C23H17ClN2O3S2;ZINC2258245;STK553569;AKOS005480664;MCULE-2237897649;4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid;677765-22-9
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CAS No:
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzoic acid Basic Attributes
469.0 g/mol
468.0369124 g/mol
Computed Properties
Molecular Weight:469.0
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:468.0369124
Monoisotopic Mass:468.0369124
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:734
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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