2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
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![2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/31a261bdfeb84877910e464d392430b6.png "2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid")
2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
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CAS No:
126598-19-4
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Formula:
C22H21ClN4O5S
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Chemical Name:
2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
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Synonyms:
2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
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CAS No:
2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid Basic Attributes
488.943
488.092
Computed Properties
Molecular Weight:488.9
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:488.0921187
Monoisotopic Mass:488.0921187
Topological Polar Surface Area:133
Heavy Atom Count:33
Complexity:696
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8 -tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
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