2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol
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![2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2471851774104f458f60a0347ad21c52.png "2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol")
2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol
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CAS No:
898622-53-2
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Formula:
C22H25N5O2S
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Chemical Name:
2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol
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Synonyms:
ZINC2329990;STK593937;AKOS005515701;MCULE-6788103723;2-{benzyl[(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]amino}ethanol;898622-53-2
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CAS No:
2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol Basic Attributes
423.5 g/mol
423.17289623 g/mol
Computed Properties
Molecular Weight:423.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:423.17289623
Monoisotopic Mass:423.17289623
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:590
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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