7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
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![7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fcfea2c18182479a93710c07e0d666e1.png "7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene")
7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
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CAS No:
137052-81-4
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Formula:
C21H22N2OS
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Chemical Name:
7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
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Synonyms:
137052-81-4;4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(4-methoxyphenyl)-;4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine;NSC605424;DTXSID40929680;AKOS001855925;CCG-139990;MCULE-7621884765;NSC-605424;5,6-Dihydro-6-(4-methoxyphenyl)-2,3-butano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine;7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
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CAS No:
7-(4-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene Basic Attributes
350.5 g/mol
350.14528450 g/mol
605424
Computed Properties
Molecular Weight:350.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:350.14528450
Monoisotopic Mass:350.14528450
Topological Polar Surface Area:54.4
Heavy Atom Count:25
Complexity:467
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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