5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
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![5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/92d47782da2e47569c1cced9781fa259.png "5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine")
5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
structure -
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CAS No:
577695-05-7
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Formula:
C19H18ClN5OS2
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Chemical Name:
5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
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Synonyms:
ZINC2381190;STK557754;AKOS005483618;MCULE-6705732501;3-[(2-chlorobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine;577695-05-7
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CAS No:
5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine Basic Attributes
432.0 g/mol
431.0641303 g/mol
Computed Properties
Molecular Weight:432.0
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:431.0641303
Monoisotopic Mass:431.0641303
Topological Polar Surface Area:132
Heavy Atom Count:28
Complexity:587
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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